Name: SB-435495 ditartrate
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218852291
Cas No:304694-43-7
常用名:SB-435495 ditartrate
IUPAC:bis((2R,3R)-2,3-dihydroxybutanedioic acid); N-[2-(diethylamino)ethyl]-2-(2-{[(4-fluorophenyl)methyl]sulfanyl}-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,4-dihydropyrimidin-1-yl)-N-{[4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]methyl}acetamide
IUPAC:bis((2R,3R)-2,3-dihydroxybutanedioic acid); N-[2-(diethylamino)ethyl]-2-(2-{[(4-fluorophenyl)methyl]sulfanyl}-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,4-dihydropyrimidin-1-yl)-N-{[4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]methyl}acetamide
InChI key:BCBWEOPNBBMTKX-WBPXWQEISA-N

分子式:C46H52F4N6O14S
分子量:1021
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
SMILES:O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1

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