Name: Cbl-b-IN-12
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851509
Cas No:2851871-29-7
常用名:Cbl-b-IN-12
IUPAC:6-({5-azaspiro[2.4]heptan-5-yl}methyl)-2-(3-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]oxetan-3-yl}phenyl)-8-(trifluoromethyl)-2H,3H-imidazo[1,5-a]pyridin-3-one
IUPAC:6-({5-azaspiro[2.4]heptan-5-yl}methyl)-2-(3-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]oxetan-3-yl}phenyl)-8-(trifluoromethyl)-2H,3H-imidazo[1,5-a]pyridin-3-one
InChI key:QWIYHMAATGUUNQ-UHFFFAOYSA-N

分子式:C28H29F3N6O2
分子量:538.575
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cn1cnnc1CC1(COC1)c1cccc(c1)-n1cc2c(cc(CN3CCC4(CC4)C3)cn2c1=O)C(F)(F)F
SMILES:Cn1cnnc1CC1(COC1)c1cccc(c1)-n1cc2c(cc(CN3CCC4(CC4)C3)cn2c1=O)C(F)(F)F

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