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OCc1ccc(OC(F)(F)F)cc1
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[1*]Oc1cc2c([3*])cnnc2cc1O[2*]
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C[C@@H](c1ccc(F)cc1)N1CCN(c2ccnc(Cl)c2)CC1
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O=C1O[C@]2(CN3CCC2CC3)CN1c1csc(-c2cccnc2)c1
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[12*]OC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl
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CS(=O)(=O)OCc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
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CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2CC(O)CN2CCC(n3c(=O)[nH]c4ccc(Cl)cc43)CC2)C1
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[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch2][Branch1][#Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][N][Ring1][N][C][C][Branch1][C][O][C][N][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O][C][C][Ring1][P][C][Ring2][Ring2][Branch1]
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US20070049758A1_p0018_x0476_y1798_c00019
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COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#Cc1ccccn1
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[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch1][=C][O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][C][=C][Ring2][Ring1][C][C][#C][C][=C][C][=C][C][=N][Ring1][=Branch1]
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US20050288357A1_p0033_x1496_y1170_c00063
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0610.cdx
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Cc1ccc(C2(C(O)/C=C/[C@H]3CCC(=O)N3CCc3ccc(C(=O)O)cc3)CCCC2)cc1
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[C][C][=C][C][=C][Branch2][Ring2][=N][C][Branch2][Ring2][C][C][Branch1][C][O][/C][=C][/C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][C][C][C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S]
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InChI=1S/C28H33NO4/c1-20-4-10-23(11-5-20)28(17-2-3-18-28)25(30)14-12-24-13-15-26(31)29(24)19-16-21-6-8-22(9-7-21)27(32)33/h4-12,14,24-25,30H,2-3,13,15-19H2,1H3,(H,32,33)/b14-12+/t24-,25?/m0/s1
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US20050004369A1_p0020_x1488_y2697_c00030
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0621.cdx
ChemDraw12020422532D
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M END
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CCCCc1oc2ccccc2c1C(=O)c1ccc(Br)cc1
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[C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
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US20070270434A1_p0017_x1375_y1546_c00037
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00040001.cdx
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|
N#Cc1ccc(OC(F)(F)F)cc1
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[N][#C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O]
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US20050009817A1_p0024_x0621_y2159_c00078
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0020.cdx
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M END
|
O=C(O)/C(F)=C/c1cn(-c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c2ccc(Cl)cc12
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[O][=C][Branch1][C][O][/C][Branch1][C][F][=C][/C][=C][N][Branch2][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][P][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][O][Ring1][#Branch1]
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US20040229890A1_p0011_x1496_y1524_c00049
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0262.cdx
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M END
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CCNc1nc(N)nc2cc(-c3ccccc3C(F)(F)F)c3c(ccn3C)c12
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[C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][#Branch1][C][=C][N][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Ring2]
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InChI=1S/C20H18F3N5/c1-3-25-18-16-12-8-9-28(2)17(12)13(10-15(16)26-19(24)27-18)11-6-4-5-7-14(11)20(21,22)23/h4-10H,3H2,1-2H3,(H3,24,25,26,27)
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US20070049758A1_p0019_x0476_y2445_c00024
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0011.cdx
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COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#Cc1ccncc1
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[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch1][=C][O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][C][=C][Ring2][Ring1][C][C][#C][C][=C][C][=N][C][=C][Ring1][=Branch1]
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InChI=1S/C21H21N5O2/c1-13(2)16-11-17(27-3)15(5-4-14-6-8-24-9-7-14)10-18(16)28-19-12-25-21(23)26-20(19)22/h6-13H,1-3H3,(H4,22,23,25,26)
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US20050002859A1_p0015_x0484_y2061_c00089
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0112.cdx
ChemDraw11250423442D
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CC(C)(C)C(C)(C)CCOC(=O)c1cc(I)cc(I)c1I
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InChI=1S/C16H21I3O2/c1-15(2,3)16(4,5)6-7-21-14(20)11-8-10(17)9-12(18)13(11)19/h8-9H,6-7H2,1-5H3
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US20070155803A1_p0014_x1439_y1966_c00014
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C[C@H](N)C(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(N)=O
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[C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O]
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CN1C(=O)C(C)(C)c2ccc(C(C)(C)C)cc21
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0100.cdx
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[1*]N([2*])S(=O)(=O)c1n[nH]c2c1=[CH][Y]=[C]([5*])N=2
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O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/C(O)C2(c3cccc(F)c3)CCCC2)cc1
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US20060154945A1_p0012_x0402_y1544_c00033
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0261.cdx
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C[Si](C)(C)c1oc(N2C[C@@]3(CN4CCC3CC4)OC2=O)cc1Br
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CCOc1ccc(Cc2cc([C@@H]3OC(O)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
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[C][C][O][C][=C][C][=C][Branch2][Ring1][S][C][C][=C][C][Branch2][Ring1][Ring1][C@@H1][O][C][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][=C][C][=C][Ring1][S][Cl][C][=C][Ring2][Ring1][Branch2]
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US20040254236A1_p0033_x1364_y0931_c00138
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Cc1ccc(C(=O)NC2CC2)cc1Nc1nc(C(=O)Nc2ccccc2)cs1
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[C][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][N][C][=N][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][=C]
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US20050288357A1_p0006_x1491_y1404_c00002
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0060.cdx
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CC(C)(C)OC(=O)N[C@@H](CS(=O)Cc1ccc(-c2ccc(-n3ccc4ccccc43)cc2)cc1)C(=O)O
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CC(C)CCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1
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O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](CS(=O)Cc1ccc(-c2ccc(-n3ccc4ccccc43)cc2)cc1)C(=O)O
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[O][=C][Branch1][P][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][C@@H1][Branch2][Ring2][#Branch2][C][S][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O]
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InChI=1S/C32H27N3O6S/c36-31(19-23-4-3-6-28(18-23)35(39)40)33-29(32(37)38)21-42(41)20-22-8-10-24(11-9-22)25-12-14-27(15-13-25)34-17-16-26-5-1-2-7-30(26)34/h1-18,29H,19-21H2,(H,33,36)(H,37,38)/t29-,42?/m0/s1
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US20050182067A1_p0033_x1332_y0828_c00119
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M END
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C[C@@H](c1ccc(F)cc1)N1CCN(c2ccnc(Oc3cccc4[nH]c(=O)c(N)nc34)c2)CC1
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[C][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring2][C][C][=C][C][=N][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][C][NH1][C][=Branch1][C][=O][C][Branch1][C][N][=N][C][Ring1][N][=Ring1][Branch2][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2]
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US20030130506A1_p0004_x0551_y1960_c00008
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M END
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[1*]C1([2*])SCCN[C@H]1C(=O)OC
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US20080113922A1_p0022_x0350_y0953_c00063
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00068001.cdx
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M END
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CCOc1ccc(Cc2cc([C@@H]3N[C@H](OO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
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[C][C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][=C][C][Branch2][Ring1][Ring2][C@@H1][N][C@H1][Branch1][Ring1][O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][=C][C][=C][Ring1][P][Cl][C][=C][Ring2][Ring1][=Branch2]
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US20050004369A1_p0033_x0443_y1163_c00065
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O=C(O)CN(Cc1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1
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[O][=C][Branch1][C][O][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N]
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US20060154945A1_p0021_x1375_y0776_c00084
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O=C1O[C@]2(CN3CCC2CC3)CN1c1nc(-c2ccncc2)cs1
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[O][=C][O][C@][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][N][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][S][Ring1][O]
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US20070117785A1_p0040_x1307_y1652_c00079
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CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(Oc3noc4ccccc34)CC2)C1
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O=C1O[C@]2(CN3CCC2CC3)CN1c1cc(-c2ccncc2)co1
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C[C@@H]1CN(C(=O)CCc2ccc(OC(F)(F)F)cc2)C[C@H](C)N1S(=O)(=O)c1cccc2c1CC(C(=O)O)C2
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CC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1
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M END
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COc1cc2nncc(-n3ncc4ccc(OCc5ccccc5)cc43)c2cc1OC
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[C][O][C][=C][C][=N][N][=C][C][Branch2][Ring1][#Branch2][N][N][=C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][Ring1][P][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][O][C]
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InChI=1S/C24H20N4O3/c1-29-23-11-19-20(12-24(23)30-2)27-25-14-22(19)28-21-10-18(9-8-17(21)13-26-28)31-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3
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US20040254236A1_p0055_x0346_y2338_c00214
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1040.cdx
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M STY 1 1 SUP
M SLB 1 1 1
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M SBL 1 1 51
M SMT 1 Me
M SBV 1 51 -5.1895 6.2012
M END
|
Cc1ccc(C(=O)NC2CC2)cc1Nc1nc(-c2ccc(NC(=O)CNC(=O)OC(C)(C)C)cc2)c(C(=O)NCc2ccccc2)s1
|
[C][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][N][C][=N][C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][P]
|
InChI=1S/C35H38N6O5S/c1-21-10-11-24(31(43)39-26-16-17-26)18-27(21)40-33-41-29(30(47-33)32(44)36-19-22-8-6-5-7-9-22)23-12-14-25(15-13-23)38-28(42)20-37-34(45)46-35(2,3)4/h5-15,18,26H,16-17,19-20H2,1-4H3,(H,36,44)(H,37,45)(H,38,42)(H,39,43)(H,40,41)
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US20050004369A1_p0033_x0443_y1881_c00066
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0015.cdx
ChemDraw12060402132D
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M END
|
O=C(O)CN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1
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[O][=C][Branch1][C][O][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N]
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InChI=1S/C36H28FNO5S/c37-30-10-6-9-26(21-30)23-38(24-35(39)40)44(41,42)31-19-17-28(18-20-31)27-13-15-29(16-14-27)36-32-11-4-5-12-33(32)43-34(36)22-25-7-2-1-3-8-25/h1-21H,22-24H2,(H,39,40)
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US20070049758A1_p0023_x0553_y2615_c00040
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0027.cdx
ChemDraw01130703122D
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M END
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C#Cc1ccc(I)c(Oc2cnc(N)nc2N)c1
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[C][#C][C][=C][C][=C][Branch1][C][I][C][Branch1][=C][O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][Ring1][S]
|
InChI=1S/C12H9IN4O/c1-2-7-3-4-8(13)9(5-7)18-10-6-16-12(15)17-11(10)14/h1,3-6H,(H4,14,15,16,17)
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US20050182067A1_p0036_x1607_y2740_c00137
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0711.cdx
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M SMT 1 O2N
M SBV 1 13 -6.0913 8.8879
M END
|
O=C1COc2cccc([N+](=O)[O-])c2N1
|
[O][=C][C][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][Ring1][=N]
|
InChI=1S/C8H6N2O4/c11-7-4-14-6-3-1-2-5(10(12)13)8(6)9-7/h1-3H,4H2,(H,9,11)
|
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US20070105909A1_p0022_x0484_y1966_c00048
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0015.cdx
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M END
|
CC(C)(C)c1cc(F)c(F)cc1F
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[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F]
|
InChI=1S/C10H11F3/c1-10(2,3)6-4-8(12)9(13)5-7(6)11/h4-5H,1-3H3
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US20040266789A1_p0010_x1178_y2532_c00013
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M END
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O=C(N[C@@H](CSCc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1)C(=O)O)c1ccc2[nH]cnc2c1
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[O][=C][Branch2][Branch1][=C][N][C@@H1][Branch2][Branch1][Ring2][C][S][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N][C][=Branch1][C][=O][O][C][=C][C][=C][NH1][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2]
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InChI=1S/C39H31N3O4S/c43-38(30-18-19-32-33(21-30)41-24-40-32)42-34(39(44)45)23-47-22-26-10-12-27(13-11-26)28-14-16-29(17-15-28)37-31-8-4-5-9-35(31)46-36(37)20-25-6-2-1-3-7-25/h1-19,21,24,34H,20,22-23H2,(H,40,41)(H,42,43)(H,44,45)/t34-/m0/s1
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US20040229890A1_p0014_x0525_y2643_c00061
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0321.cdx
ChemDraw10120411172D
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M END
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CN(C)c1nc(N)nc2cc(-c3ccoc3)c3c(ccn3C)c12
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[C][N][Branch1][C][C][C][=N][C][Branch1][C][N][=N][C][=C][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=C][C][Branch1][#Branch1][C][=C][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2][Ring1][#C]
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InChI=1S/C17H17N5O/c1-21(2)16-14-11-4-6-22(3)15(11)12(10-5-7-23-9-10)8-13(14)19-17(18)20-16/h4-9H,1-3H3,(H2,18,19,20)
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US20040266789A1_p0028_x1302_y2083_c00049
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M END
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O=C(Cc1ccc(F)cc1)N[C@@H](CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O
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[O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C@@H1][Branch2][Ring2][#C][C][S][C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][O]
|
InChI=1S/C36H28FNO4S/c37-28-18-10-23(11-19-28)20-34(39)38-32(36(40)41)22-43-21-24-8-12-25(13-9-24)26-14-16-27(17-15-26)29-5-3-6-31-30-4-1-2-7-33(30)42-35(29)31/h1-19,32H,20-22H2,(H,38,39)(H,40,41)/t32-/m0/s1
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US20060122222A1_p0026_x0514_y2640_c00075
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0730.cdx
ChemDraw04250619482D
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M END
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OB(O)c1ccc(-c2cccc3c2oc2ccccc23)cc1
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[O][B][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1]
|
InChI=1S/C18H13BO3/c20-19(21)13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)22-18(14)16/h1-11,20-21H
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US20070265270A1_p0024_x0595_y2282_c00095
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0520.cdx
ChemDraw10030715412D
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M END
|
COc1cc2nncc(N3CCC(N)CC3)c2cc1OC
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[C][O][C][=C][C][=N][N][=C][C][Branch1][N][N][C][C][C][Branch1][C][N][C][C][Ring1][#Branch1][=C][Ring1][=N][C][=C][Ring1][P][O][C]
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InChI=1S/C15H20N4O2/c1-20-14-7-11-12(8-15(14)21-2)18-17-9-13(11)19-5-3-10(16)4-6-19/h7-10H,3-6,16H2,1-2H3
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US20070049758A1_p0018_x0476_y2456_c00020
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M END
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COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#Cc1cccnc1
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[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch1][=C][O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][C][=C][Ring2][Ring1][C][C][#C][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
InChI=1S/C21H21N5O2/c1-13(2)16-10-17(27-3)15(7-6-14-5-4-8-24-11-14)9-18(16)28-19-12-25-21(23)26-20(19)22/h4-5,8-13H,1-3H3,(H4,22,23,25,26)
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C[C@H](N)C(=O)NNC(=O)NCc1cccc(Cl)c1
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[C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
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US20050004369A1_p0033_x0443_y2609_c00067
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COC(=O)CNc1ccc(-c2ccc(-n3ccc4ccccc43)cc2)cc1
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[C][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch1]
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US20070155803A1_p0023_x0437_y1383_c00047
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M END
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C[C@H](N)C(=O)NNC(=O)NCc1cccc2ccccc12
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[C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
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US20050182067A1_p0038_x0510_y0647_c00143
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Clc1cc(Nc2ccc3ncsc3c2)ncn1
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CC(=O)Nc1nc2c(Oc3cc(N4CCN([C@H](C)c5ccc(F)cc5)CC4)ccn3)cccc2s1
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CC#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC
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US20050009817A1_p0016_x0367_y1043_c00054
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0370.cdx
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M END
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CCCCc1ccc(-c2nc(-n3cc(C(=O)CCC(=O)O)c4cc(Br)ccc43)nc3ccc(-c4ccco4)cc23)cc1
|
[C][C][C][C][C][=C][C][=C][Branch2][Branch1][=Branch2][C][=N][C][Branch2][Ring1][=C][N][C][=C][Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][P][=N][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][S][Ring1][O][C][=C][Ring2][Ring2][=Branch1]
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InChI=1S/C34H28BrN3O4/c1-2-3-5-21-7-9-22(10-8-21)33-26-18-23(31-6-4-17-42-31)11-13-28(26)36-34(37-33)38-20-27(30(39)15-16-32(40)41)25-19-24(35)12-14-29(25)38/h4,6-14,17-20H,2-3,5,15-16H2,1H3,(H,40,41)
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US20070265270A1_p0026_x1451_y2335_c00106
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0560.cdx
ChemDraw10010712262D
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3.6537 2.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
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COc1cc2nncc(-n3ncc4cc(N5CCOCC5)ccc43)c2cc1OC
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[C][O][C][=C][C][=N][N][=C][C][Branch2][Ring1][Branch2][N][N][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][N][Ring1][#C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][O][C]
|
InChI=1S/C21H21N5O3/c1-27-20-10-16-17(11-21(20)28-2)24-22-13-19(16)26-18-4-3-15(9-14(18)12-23-26)25-5-7-29-8-6-25/h3-4,9-13H,5-8H2,1-2H3
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US20080113922A1_p0014_x1312_y1952_c00046
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00052001.cdx
ChemDraw03260809072D
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28 30 1 0
26 31 1 0
31 32 1 0
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M END
|
CCCN(C(C)=O)[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OCC)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
|
[C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C@H1][O][C@@H1][Branch2][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#C][C][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][=C][Ring1][P][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][=Branch2][O]
|
InChI=1S/C25H32ClNO6/c1-4-12-27(15(3)28)25-23(31)21(29)22(30)24(33-25)17-8-11-20(26)18(14-17)13-16-6-9-19(10-7-16)32-5-2/h6-11,14,21-25,29-31H,4-5,12-13H2,1-3H3/t21-,22-,23+,24+,25+/m1/s1
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US20070155803A1_p0026_x1400_y1136_c00064
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0542.cdx
ChemDraw05240722042D
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M END
|
N[C@@H](Cc1ccccc1)C(=O)NNC(=O)NCc1ccccc1Cl
|
[N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
|
InChI=1S/C17H19ClN4O2/c18-14-9-5-4-8-13(14)11-20-17(24)22-21-16(23)15(19)10-12-6-2-1-3-7-12/h1-9,15H,10-11,19H2,(H,21,23)(H2,20,22,24)/t15-/m0/s1
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US20070270434A1_p0018_x0404_y2396_c00040
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00043001.cdx
ChemDraw06290714122D
13 13 0 0 0 0 0 0 0 0999 V2000
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M STY 1 1 SUP
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M SBL 1 1 9
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M END
|
FC(F)(F)Oc1ccc(CBr)cc1
|
[F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][Ring1][C][Br][C][=C][Ring1][Branch2]
|
InChI=1S/C8H6BrF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
|
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US20050009817A1_p0021_x0709_y2113_c00071
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0013.cdx
ChemDraw12150415582D
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1.4289 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
1 7 1 0
7 8 2 0
8 9 1 0
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10 2 1 0
5 11 1 0
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9 13 1 0
12 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
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20 21 1 0
21 22 2 0
22 23 1 0
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24 25 1 0
25 26 2 0
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M END
|
Clc1nc(-c2ccc(OCc3ccccc3)cc2)c2cc(Br)ccc2n1
|
[Cl][C][=N][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2]
|
InChI=1S/C21H14BrClN2O/c22-16-8-11-19-18(12-16)20(25-21(23)24-19)15-6-9-17(10-7-15)26-13-14-4-2-1-3-5-14/h1-12H,13H2
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US20070155803A1_p0025_x1439_y0937_c00059
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0522.cdx
ChemDraw05240722002D
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CC[C@H](N)C(=O)NNC(=O)NCc1ccccc1Cl
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[C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
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US20060154945A1_p0022_x1375_y2289_c00090
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0482.cdx
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O=C1O[C@]2(CN3CCC2CC3)CN1c1nnc(-c2ccccc2)s1
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[O][=C][O][C@][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][N][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O]
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InChI=1S/C17H18N4O2S/c22-16-21(11-17(23-16)10-20-8-6-13(17)7-9-20)15-19-18-14(24-15)12-4-2-1-3-5-12/h1-5,13H,6-11H2/t17-/m1/s1
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US20050227932A1_p0026_x1376_y2365_c00031
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0591.cdx
ChemDraw09070517262D
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C[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(Cc2ccc(C(=O)O)cc2)C(=O)[C@@H]1c1ccc(Cl)cc1
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[C][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
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US20050182067A1_p0031_x1340_y2090_c00109
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0612.cdx
ChemDraw07100522422D
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M END
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C[C@H](c1ccc(F)cc1)N1CCN(c2cc(Nc3ccc4cccnc4c3)ncn2)CC1
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[C][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][=C][C][Branch1][S][N][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][=N][Ring1][P][C][C][Ring2][Ring1][#Branch1]
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US20060122222A1_p0038_x1483_y2682_c00100
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1120.cdx
ChemDraw04260610022D
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COC(=O)CCNc1cc(Cl)nc(Cc2ccccc2)n1
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[C][O][C][=Branch1][C][=O][C][C][N][C][=C][C][Branch1][C][Cl][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=C]
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US20070015754A1_p0038_x1434_y0861_c00242
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0751.cdx
ChemDraw11030612542D
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M END
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Cc1onc(-c2ccccc2)c1C(=O)/N=C(\N)N[C@H](C)c1cccc2ccccc12
|
[C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][/N][=C][Branch1][C][\N][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
InChI=1S/C24H22N4O2/c1-15(19-14-8-12-17-9-6-7-13-20(17)19)26-24(25)27-23(29)21-16(2)30-28-22(21)18-10-4-3-5-11-18/h3-15H,1-2H3,(H3,25,26,27,29)/t15-/m1/s1
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US20050009817A1_p0031_x0585_y0933_c00087
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0541.cdx
ChemDraw12190419442D
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M END
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O=c1[nH]c2ccc(Br)cc2c(=O)o1
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[O][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][N]
|
InChI=1S/C8H4BrNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)
|
|
US20070155803A1_p0024_x1439_y0732_c00054
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0502.cdx
ChemDraw05240721572D
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1.9776 0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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14 15 2 0
15 16 1 0
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17 11 1 0
17 18 1 0
18 19 1 0
18 20 1 0
18 21 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 18 19 20 21
M SBL 1 1 18
M SMT 1 CF3
M SBV 1 18 -5.8482 3.4199
M END
|
C[C@H](N)C(=O)NNC(=O)NCc1ccccc1C(F)(F)F
|
[C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]
|
InChI=1S/C12H15F3N4O2/c1-7(16)10(20)18-19-11(21)17-6-8-4-2-3-5-9(8)12(13,14)15/h2-5,7H,6,16H2,1H3,(H,18,20)(H2,17,19,21)/t7-/m0/s1
|
|
US20060154945A1_p0017_x0404_y2072_c00059
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0361.cdx
ChemDraw05290607292D
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1.1079 -1.5684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8224 -1.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8224 -0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1079 0.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.5849 0.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.9829 -0.4109 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
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10 11 1 0
11 7 1 0
9 12 1 0
M END
|
Brc1csc(-c2cccnc2)c1
|
[Br][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][O]
|
InChI=1S/C9H6BrNS/c10-8-4-9(12-6-8)7-2-1-3-11-5-7/h1-6H
|
|
US20070265270A1_p0026_x0446_y2591_c00105
|
0553.cdx
ChemDraw10010712252D
29 33 0 0 0 0 0 0 0 0999 V2000
-2.5658 -0.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.8513 -2.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2451 0.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0520 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6041 1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3491 2.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5422 2.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4010 1.0091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6145 0.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4114 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9947 0.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7812 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9843 1.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
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23 16 1 0
21 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 24 1 0
M END
|
COc1cc2nncc(-n3ncc4ccc(N5CCOCC5)cc43)c2cc1OC
|
[C][O][C][=C][C][=N][N][=C][C][Branch2][Ring1][Branch2][N][N][=C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][Ring1][#C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][O][C]
|
InChI=1S/C21H21N5O3/c1-27-20-10-16-17(11-21(20)28-2)24-22-13-19(16)26-18-9-15(4-3-14(18)12-23-26)25-5-7-29-8-6-25/h3-4,9-13H,5-8H2,1-2H3
|
|
US20050009817A1_p0032_x1599_y1076_c00093
|
0581.cdx
ChemDraw12190420012D
10 10 0 0 0 0 0 0 0 0999 V2000
-0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6039 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
2 7 1 0
5 8 1 0
4 9 1 0
9 10 3 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 9 10
M SBL 1 1 9
M SMT 1 CN
M SBV 1 9 -4.7107 3.5009
M END
|
N#Cc1cc(Br)ccc1N
|
[N][#C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N]
|
InChI=1S/C7H5BrN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
|
|
US20050182067A1_p0007_x0610_y2258_c00004
|
0420.cdx
ChemDraw07120515272D
14 14 0 0 0 0 0 0 0 0999 V2000
-0.5082 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2062 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2062 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2062 1.6500 0.0000 R5 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6352 0.8250 0.0000 R6 0 0 0 0 0 0 0 0 0 0 0 0
1.6352 -0.8250 0.0000 R7 0 0 0 0 0 0 0 0 0 0 0 0
0.2062 -1.6500 0.0000 R8 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -0.8250 0.0000 R9 0 0 0 0 0 0 0 0 0 0 0 0
-0.8102 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6352 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
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5 6 2 0
6 1 1 0
6 7 1 0
1 8 1 0
5 9 1 0
4 10 1 0
3 11 1 0
2 12 1 0
8 13 1 4
8 14 1 4
M END
|
[5*]c1c([6*])c([7*])c([8*])c([9*])c1C(C)C
| null | ||
US20070265270A1_p0025_x0488_y2444_c00100
|
0540.cdx
ChemDraw10010712192D
28 31 0 0 0 0 0 0 0 0999 V2000
-2.1130 -1.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.3985 -3.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.6840 -1.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3985 -1.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0304 -3.0539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7449 -2.6414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7449 -1.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0304 -1.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8275 -1.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.8275 -3.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5419 -2.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.4429 0.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6370 -0.0939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0304 -0.5789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6979 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5048 -0.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0569 0.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8019 1.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9950 1.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7814 2.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3648 2.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1617 2.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7450 3.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5419 2.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
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21 22 1 0
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25 26 1 0
26 27 1 0
27 28 1 0
23 24 1 0
M END
|
COCCOc1cccc2c1cnn2-c1cnnc2cc(OC)c(OC)cc12
|
[C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][N][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Ring1][#Branch2]
|
InChI=1S/C20H20N4O4/c1-25-7-8-28-18-6-4-5-16-14(18)11-22-24(16)17-12-21-23-15-10-20(27-3)19(26-2)9-13(15)17/h4-6,9-12H,7-8H2,1-3H3
|
|
US20080113922A1_p0015_x0364_y2579_c00048
|
00054001.cdx
ChemDraw03260809112D
28 30 0 0 0 0 0 0 0 0999 V2000
-2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.7862 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6441 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
1 7 1 0
7 8 1 0
8 9 1 0
4 10 1 0
10 11 1 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 11 2 0
16 17 1 0
18 13 1 6
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
23 18 1 0
19 24 1 1
21 25 1 1
22 26 2 0
20 27 1 6
26 28 1 0
23 22 1 0
M END
|
CCOc1ccc(Cc2cc([C@@H]3O/C(=N\O)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][=C][C][Branch2][Ring1][Ring2][C@@H1][O][/C][=Branch1][Ring1][=N][\O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][=C][C][=C][Ring1][P][Cl][C][=C][Ring2][Ring1][=Branch2]
|
InChI=1S/C20H22ClNO6/c1-2-27-14-6-3-11(4-7-14)9-13-10-12(5-8-15(13)21)19-17(24)16(23)18(25)20(22-26)28-19/h3-8,10,16-19,23-26H,2,9H2,1H3/b22-20-/t16-,17-,18+,19+/m1/s1
|
|
US20070105909A1_p0016_x1592_y2663_c00019
|
0291.cdx
ChemDraw03260715532D
12 12 0 0 0 0 0 0 0 0999 V2000
-0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.6500 0.0000 R5 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.8250 0.0000 R4 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.6500 0.0000 R8 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.8250 0.0000 R7 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.8250 0.0000 R6 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
6 7 1 0
5 8 1 0
4 9 1 0
3 10 1 0
2 11 1 0
1 12 1 0
A 1
X
M END
|
[4*]c1c([5*])c([6*])c([7*])c([8*])c1O
| null |
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