LBX192
HIT212716828
sdf文件结构编辑类似物检索
HIT ID: HIT212716828
Cas No: 866772-52-3
分子式: C26H33N5O4S2
分子量: 543.7
常用名: LBX192
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 4.5014043
IUPAC: (2R)-3-cyclopentyl-N-{5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl}-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide
IUPAC: (2R)-3-cyclopentyl-N-{5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl}-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide
SMILES: COc1ccc2nc(NC(=O)[C@H](CC3CCCC3)c3ccc(cc3)S(=O)(=O)N3CCN(C)CC3)sc2n1
SMILES: COc1ccc2nc(NC(=O)[C@H](CC3CCCC3)c3ccc(cc3)S(=O)(=O)N3CCN(C)CC3)sc2n1
InChI key: GMGMDWSPSKXMJH-OAQYLSRUSA-N
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