Name: Aurora kinase inhibitor-10
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214433912
Cas No:2417228-90-9
常用名:Aurora kinase inhibitor-10
IUPAC:4-{[5-fluoro-4-(8-fluoro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-yl)pyrimidin-2-yl]amino}benzene-1-sulfonamide; trifluoroacetic acid
IUPAC:4-{[5-fluoro-4-(8-fluoro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-yl)pyrimidin-2-yl]amino}benzene-1-sulfonamide; trifluoroacetic acid
InChI key:REOQQALLZHEESD-UHFFFAOYSA-N

分子式:C21H19F5N6O4S
分子量:546.47
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.NS(=O)(=O)c1ccc(Nc2ncc(F)c(n2)N2CCNc3cc(F)ccc3C2)cc1
SMILES:OC(=O)C(F)(F)F.NS(=O)(=O)c1ccc(Nc2ncc(F)c(n2)N2CCNc3cc(F)ccc3C2)cc1

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