CB2R-IN-1
HIT212671209
sdf文件结构编辑类似物检索
HIT ID: HIT212671209
Cas No: 1257555-79-5
分子式: C23H27F3N4O6S3
分子量: 608.67
常用名: CB2R-IN-1
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 3.8820536
IUPAC: 1,1,1-trifluoro-N-[(4-propyl-1-{[1-(pyridine-2-sulfonyl)-1H-indol-2-yl]sulfonyl}piperidin-4-yl)methyl]methanesulfonamide
IUPAC: 1,1,1-trifluoro-N-[(4-propyl-1-{[1-(pyridine-2-sulfonyl)-1H-indol-2-yl]sulfonyl}piperidin-4-yl)methyl]methanesulfonamide
SMILES: CCCC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccn1
SMILES: CCCC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccn1
InChI key: NHSFQIHOYMIPMW-UHFFFAOYSA-N
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