Name: CDK7-IN-5
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322815
Cas No:1817006-50-0
常用名:CDK7-IN-5
别名:CDK7-IN-5
IUPAC:(2E)-4-(dimethylamino)-N-{4-[({2-[({2-[(1-methylpiperidin-4-yl)oxy]-8-(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl}amino)methyl]phenyl}amino)methyl]phenyl}but-2-enamide
IUPAC:(2E)-4-(dimethylamino)-N-{4-[({2-[({2-[(1-methylpiperidin-4-yl)oxy]-8-(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl}amino)methyl]phenyl}amino)methyl]phenyl}but-2-enamide
InChI key:POECXUHOCANBJS-DHZHZOJOSA-N

分子式:C34H45N9O2
分子量:611.795
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)c1cnn2c(NCc3ccccc3NCc3ccc(NC(=O)\C=C\CN(C)C)cc3)nc(OC3CCN(C)CC3)nc12
SMILES:CC(C)c1cnn2c(NCc3ccccc3NCc3ccc(NC(=O)\C=C\CN(C)C)cc3)nc(OC3CCN(C)CC3)nc12

CDK7-IN-5, a CDK7 inhibitor with an IC 50 value of less than 100 nM, exhibits potent anticancer properties (WO2015154022A1, Compound 104).

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