Name: EGFR-IN-102
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218847975
Cas No:2781912-10-3
常用名:EGFR-IN-102
IUPAC:2-[4-(difluoromethyl)-6-[2-(4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)ethynyl]-7-methyl-2H-indazol-2-yl]-2-{6',7'-dihydrospiro[cyclopropane-1,5'-pyrrolo[1,2-c]imidazol]-1'-yl}-N-(1,3-thiazol-2-yl)acetamide
IUPAC:2-[4-(difluoromethyl)-6-[2-(4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)ethynyl]-7-methyl-2H-indazol-2-yl]-2-{6',7'-dihydrospiro[cyclopropane-1,5'-pyrrolo[1,2-c]imidazol]-1'-yl}-N-(1,3-thiazol-2-yl)acetamide
InChI key:XGCQKFFIRIFVIZ-UHFFFAOYSA-N

分子式:C37H37F2N7O2S
分子量:681.81
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1c(cc(C(F)F)c2cn(nc12)C(C(=O)Nc1nccs1)c1ncn2c1CCC21CC1)C#Cc1ccc(CN2CCC(CO)CC2)cc1
SMILES:Cc1c(cc(C(F)F)c2cn(nc12)C(C(=O)Nc1nccs1)c1ncn2c1CCC21CC1)C#Cc1ccc(CN2CCC(CO)CC2)cc1

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