GSK2163632A
HIT212709974
sdf文件结构编辑类似物检索
HIT ID: HIT212709974
Cas No: 1123163-20-1
分子式: C27H32N8O3S
分子量: 548.67
常用名: GSK2163632A
氢键受体数 (HBA): 8
氢键供体数 (HBD): 4
LogP: 4.6397033
IUPAC: 3-{[2-({1-[2-(dimethylamino)acetyl]-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}thiophene-2-carboxamide
IUPAC: 3-{[2-({1-[2-(dimethylamino)acetyl]-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}thiophene-2-carboxamide
SMILES: COc1cc2c(cc1Nc1nc(Nc3ccsc3C(N)=O)c3cc[nH]c3n1)N(CCC2(C)C)C(=O)CN(C)C
SMILES: COc1cc2c(cc1Nc1nc(Nc3ccsc3C(N)=O)c3cc[nH]c3n1)N(CCC2(C)C)C(=O)CN(C)C
InChI key: YNSCKPCDFIDINW-UHFFFAOYSA-N
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