CC-3240
HIT218847699
sdf文件结构编辑类似物检索
HIT ID: HIT218847699
Cas No: 2922675-91-8
分子式: C52H64N6O7S
分子量: 917.18
常用名: CC-3240
氢键受体数 (HBA): 10
氢键供体数 (HBD): 4
LogP: 9.398
IUPAC: 2-cyclopentyl-4-{7-[(9-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}nonyl)oxy]quinazolin-4-yl}benzoic acid
IUPAC: 2-cyclopentyl-4-{7-[(9-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}nonyl)oxy]quinazolin-4-yl}benzoic acid
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCOc2ccc3c(ncnc3c2)-c2ccc(C(O)=O)c(c2)C2CCCC2)C(C)(C)C)cc1
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCOc2ccc3c(ncnc3c2)-c2ccc(C(O)=O)c(c2)C2CCCC2)C(C)(C)C)cc1
InChI key: OXICLXLJBMPGTO-LMIZGRGHSA-N
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