Name: Aurora inhibitor 1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212708328
Cas No:2227019-45-4
常用名:Aurora inhibitor 1
IUPAC:3-[(tert-butylamino)(pyridin-2-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
IUPAC:3-[(tert-butylamino)(pyridin-2-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
InChI key:QTTGVGLTCILDCA-UHFFFAOYSA-N

分子式:C23H25N9S
分子量:459.58
氢键供体数 (HBD):3
氢键受体数 (HBA):7
LogP:2.5130382
SMILES:Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1
SMILES:Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1

Aurora inhibitor 1 is a potent Aurora inhibitor (IC50: ≤ 4 nM and ≤13 nM for Aurora A and Aurora B kinase).

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