Name: Cbl-b-IN-3
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214436151
Cas No:2573775-59-2
常用名:Cbl-b-IN-3
IUPAC:6-{[(3S)-3-methylpiperidin-1-yl]methyl}-2-{3-[(1r,3s)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one
IUPAC:6-{[(3S)-3-methylpiperidin-1-yl]methyl}-2-{3-[(1r,3s)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one
InChI key:HUOLMBXGHHSYHC-QWQFASRJSA-N

分子式:C30H34F3N5O
分子量:537.631
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H]1C[C@](C1)(c1nncn1C)c1cccc(c1)N1Cc2c(cc(CN3CCC[C@H](C)C3)cc2C(F)(F)F)C1=O
SMILES:C[C@H]1C[C@](C1)(c1nncn1C)c1cccc(c1)N1Cc2c(cc(CN3CCC[C@H](C)C3)cc2C(F)(F)F)C1=O

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