Name: PLK1-IN-5
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848748
Cas No:1001343-34-5
常用名:PLK1-IN-5
IUPAC:4-({9-cyclopentyl-5,8-dimethyl-6-oxo-5H,6H,7H,8H,9H-pyrimido[4,5-b][1,4]diazepin-2-yl}amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
IUPAC:4-({9-cyclopentyl-5,8-dimethyl-6-oxo-5H,6H,7H,8H,9H-pyrimido[4,5-b][1,4]diazepin-2-yl}amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
InChI key:KZLQLABUFJNPSZ-UHFFFAOYSA-N

分子式:C28H39N7O3
分子量:521.666
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(ccc1Nc1ncc2N(C)C(=O)CC(C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1
SMILES:COc1cc(ccc1Nc1ncc2N(C)C(=O)CC(C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1

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