Bcl-2-IN-16
HIT217583625
sdf文件结构编辑类似物检索
HIT ID: HIT217583625
Cas No: 2858632-01-4
分子式: C53H63ClN8O10S
分子量: 1039.64
常用名: Bcl-2-IN-16
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-[(8R,15S)-4-(4-chlorophenyl)-6,6-dimethyl-9,13-dioxa-1,17-diazatricyclo[13.4.0.0^{3,8}]nonadec-3-en-17-yl]-N-[4-({[(2S,5R)-5-methoxyoxan-2-yl]methyl}amino)-3-nitrobenzenesulfonyl]-2-{14-oxa-2,4,10-triazatricyclo[7.5.0.0^{3,7}]tetradeca-1(9),3,5,7-tetraen-10-yl}benzamide
IUPAC: 4-[(8R,15S)-4-(4-chlorophenyl)-6,6-dimethyl-9,13-dioxa-1,17-diazatricyclo[13.4.0.0^{3,8}]nonadec-3-en-17-yl]-N-[4-({[(2S,5R)-5-methoxyoxan-2-yl]methyl}amino)-3-nitrobenzenesulfonyl]-2-{14-oxa-2,4,10-triazatricyclo[7.5.0.0^{3,7}]tetradeca-1(9),3,5,7-tetraen-10-yl}benzamide
SMILES: [H][C@@]12CN(CCN1CC1=C(CC(C)(C)C[C@@]1([H])OCCCOC2)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@@H]3CC[C@H](CO3)OC)c(c2)N(=O)=O)c(c1)N1CCCOc2[nH]c3nccc3cc12
SMILES: [H][C@@]12CN(CCN1CC1=C(CC(C)(C)C[C@@]1([H])OCCCOC2)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@@H]3CC[C@H](CO3)OC)c(c2)N(=O)=O)c(c1)N1CCCOc2[nH]c3nccc3cc12
InChI key: AWGQQZVAXXLVMT-ORYVFAGJSA-N
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