Name: CDK7-IN-21
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218850654
Cas No:2766124-39-2
常用名:CDK7-IN-21
IUPAC:2-fluoro-N-{1-[2-({[2-({[(3R,4R)-3-hydroxypiperidin-4-yl]methyl}amino)-8-(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino}methyl)phenyl]isoquinolin-6-yl}prop-2-enamide
IUPAC:2-fluoro-N-{1-[2-({[2-({[(3R,4R)-3-hydroxypiperidin-4-yl]methyl}amino)-8-(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino}methyl)phenyl]isoquinolin-6-yl}prop-2-enamide
InChI key:PDKSTEKFCWNJFC-LXFBAYGMSA-N

分子式:C33H36FN9O2
分子量:609.71
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)c1cnn2c(NCc3ccccc3-c3nccc4cc(NC(=O)C(F)=C)ccc34)nc(NC[C@H]3CCNC[C@@H]3O)nc12
SMILES:CC(C)c1cnn2c(NCc3ccccc3-c3nccc4cc(NC(=O)C(F)=C)ccc34)nc(NC[C@H]3CCNC[C@@H]3O)nc12

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