Name: Obicetrapib
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212713172
Cas No:866399-87-3
常用名:Obicetrapib
别名:TA-8995, TA8995, Obicetrapib (free base), Obicetrapib, AMG-899, AMG899, AMG 899
别名:TA-8995, TA8995, Obicetrapib (free base), Obicetrapib, AMG-899, AMG899, AMG 899
IUPAC:4-{[2-({[3,5-bis(trifluoromethyl)phenyl]methyl}[(2R,4S)-1-(ethoxycarbonyl)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]amino)pyrimidin-5-yl]oxy}butanoic acid
IUPAC:4-{[2-({[3,5-bis(trifluoromethyl)phenyl]methyl}[(2R,4S)-1-(ethoxycarbonyl)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]amino)pyrimidin-5-yl]oxy}butanoic acid
InChI key:NRWORBQAOQVYBJ-GJZUVCINSA-N

分子式:C32H31F9N4O5
分子量:722.609
氢键供体数 (HBD):1
氢键受体数 (HBA):8
LogP:7.4244595
SMILES:CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ncc(OCCCC(O)=O)cn2)c2cc(ccc12)C(F)(F)F
SMILES:CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ncc(OCCCC(O)=O)cn2)c2cc(ccc12)C(F)(F)F

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