Apatinib
HIT212072410
sdf文件结构编辑类似物检索
HIT ID: HIT212072410
Cas No: 811803-05-1
分子式: C24H23N5O
分子量: 397.482
常用名: Apatinib
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 4.2916036
IUPAC: N-[4-(1-cyanocyclopentyl)phenyl]-2-{[(pyridin-4-yl)methyl]amino}pyridine-3-carboxamide
IUPAC: N-[4-(1-cyanocyclopentyl)phenyl]-2-{[(pyridin-4-yl)methyl]amino}pyridine-3-carboxamide
SMILES: O=C(Nc1ccc(cc1)C1(CCCC1)C#N)c1cccnc1NCc1ccncc1
SMILES: O=C(Nc1ccc(cc1)C1(CCCC1)C#N)c1cccnc1NCc1ccncc1
InChI key: WPEWQEMJFLWMLV-UHFFFAOYSA-N
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