Name: HER2-IN-5
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214434680
Cas No:2691891-36-6
常用名:HER2-IN-5
IUPAC:8-amino-N-{4-[(dimethylcarbamoyl)methyl]-2,3-dimethylphenyl}-3-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]imidazo[1,5-a]pyrazine-1-carboxamide
IUPAC:8-amino-N-{4-[(dimethylcarbamoyl)methyl]-2,3-dimethylphenyl}-3-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]imidazo[1,5-a]pyrazine-1-carboxamide
InChI key:XMPIZYAIDPLJNK-LJQANCHMSA-N

分子式:C27H33N7O3
分子量:503.607
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN(C)C(=O)Cc1ccc(NC(=O)c2nc([C@@H]3CCCN(C3)C(=O)C=C)n3ccnc(N)c23)c(C)c1C
SMILES:CN(C)C(=O)Cc1ccc(NC(=O)c2nc([C@@H]3CCCN(C3)C(=O)C=C)n3ccnc(N)c23)c(C)c1C

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