CDK4/9-IN-1
HIT219251528
sdf文件结构编辑类似物检索
HIT ID: HIT219251528
Cas No: 2577288-83-4
分子式: C22H34N6O2
分子量: 414.554
常用名: CDK4/9-IN-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 7-cyclopentyl-N,N-dimethyl-2-{[(1r,4r)-4-[(2-hydroxyethyl)amino]cyclohexyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
IUPAC: 7-cyclopentyl-N,N-dimethyl-2-{[(1r,4r)-4-[(2-hydroxyethyl)amino]cyclohexyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILES: CN(C)C(=O)c1cc2cnc(N[C@H]3CC[C@@H](CC3)NCCO)nc2n1C1CCCC1
SMILES: CN(C)C(=O)c1cc2cnc(N[C@H]3CC[C@@H](CC3)NCCO)nc2n1C1CCCC1
InChI key: NGUCWQFIGVJAIF-QAQDUYKDSA-N
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