Name: WRN inhibitor 18
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219201066
Cas No:3064599-42-1
常用名:WRN inhibitor 18
IUPAC:(1R,2R,4R,6S)-4-(3,3-difluoropyrrolidin-1-yl)-2-{[2-fluoro-4-(trifluoromethyl)phenyl]carbamoyl}-6-[4-(N-methyl1,2-dimethyl-1H-1,3-benzodiazole-5-sulfonamido)phenyl]cyclohexane-1-carboxylic acid
IUPAC:(1R,2R,4R,6S)-4-(3,3-difluoropyrrolidin-1-yl)-2-{[2-fluoro-4-(trifluoromethyl)phenyl]carbamoyl}-6-[4-(N-methyl1,2-dimethyl-1H-1,3-benzodiazole-5-sulfonamido)phenyl]cyclohexane-1-carboxylic acid
InChI key:BBXMXTVBUXYFAO-RAYZIOHUSA-N

分子式:C35H35F6N5O5S
分子量:751.75
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN(c1ccc(cc1)[C@H]1C[C@H](C[C@H]([C@@H]1C(O)=O)C(=O)Nc1ccc(cc1F)C(F)(F)F)N1CCC(F)(F)C1)S(=O)(=O)c1ccc2n(C)c(C)nc2c1
SMILES:CN(c1ccc(cc1)[C@H]1C[C@H](C[C@H]([C@@H]1C(O)=O)C(=O)Nc1ccc(cc1F)C(F)(F)F)N1CCC(F)(F)C1)S(=O)(=O)c1ccc2n(C)c(C)nc2c1

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