Name: Bcl-2-IN-16
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT217583625
Cas No:2858632-01-4
常用名:Bcl-2-IN-16
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
InChI key:AWGQQZVAXXLVMT-ORYVFAGJSA-N

分子式:C53H63ClN8O10S
分子量:1039.64
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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

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