Name: BTK-IN-39
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219136928
Cas No:2736510-62-4
常用名:BTK-IN-39
IUPAC:tert-butyl 4-[5-(4-{4-[(1R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)formamido]ethyl]-3-methylphenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)pyridin-2-yl]piperazine-1-carboxylate
IUPAC:tert-butyl 4-[5-(4-{4-[(1R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)formamido]ethyl]-3-methylphenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)pyridin-2-yl]piperazine-1-carboxylate
InChI key:FZJOSXPSINFMFB-JOCHJYFZSA-N

分子式:C36H43N9O4
分子量:665.799
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(cc1C)-c1ncnc2[nH]c(cc12)-c1ccc(nc1)N1CCN(CC1)C(=O)OC(C)(C)C
SMILES:C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(cc1C)-c1ncnc2[nH]c(cc12)-c1ccc(nc1)N1CCN(CC1)C(=O)OC(C)(C)C

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