DS-1001b
HIT212037101
sdf文件结构编辑类似物检索
HIT ID: HIT212037101
Cas No: 1898207-64-1
分子式: C29H29Cl3FN3O4
分子量: 608.92
常用名: DS-1001b
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 6.8729033
IUPAC: (2E)-3-{1-[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carbonyl]-3-methyl-1H-indol-4-yl}prop-2-enoic acid; 2-methylpropan-2-amine
IUPAC: (2E)-3-{1-[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carbonyl]-3-methyl-1H-indol-4-yl}prop-2-enoic acid; 2-methylpropan-2-amine
SMILES: CC(C)(C)N.Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12
SMILES: CC(C)(C)N.Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12
InChI key: UPPAAWQBZQBNIE-USRGLUTNSA-N
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