CDK-TCIP1
HIT218929785
sdf文件结构编辑类似物检索
HIT ID: HIT218929785
Cas No: 3008612-35-6
分子式: C48H62ClN11O8S2
分子量: 1020.66
常用名: CDK-TCIP1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-(7-{4-[(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)carbamoyl]piperidin-1-yl}-7-oxoheptyl)-1-[5-chloro-4-({8-methoxy-1-methyl-3-[(methylcarbamoyl)methoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carboxamide
IUPAC: N-(7-{4-[(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)carbamoyl]piperidin-1-yl}-7-oxoheptyl)-1-[5-chloro-4-({8-methoxy-1-methyl-3-[(methylcarbamoyl)methoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carboxamide
SMILES: CNC(=O)COc1cc2cc(Nc3nc(ncc3Cl)N3CCC(CC3)C(=O)NCCCCCCC(=O)N3CCC(CC3)C(=O)Nc3ncc(SCc4ncc(o4)C(C)(C)C)s3)cc(OC)c2n(C)c1=O
SMILES: CNC(=O)COc1cc2cc(Nc3nc(ncc3Cl)N3CCC(CC3)C(=O)NCCCCCCC(=O)N3CCC(CC3)C(=O)Nc3ncc(SCc4ncc(o4)C(C)(C)C)s3)cc(OC)c2n(C)c1=O
InChI key: DLDMYDRNRDNRMW-UHFFFAOYSA-N
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