HIT ID: HIT212714627
Cas No: 936349-47-2
分子式: C36H39N3O4S
分子量: 609.79
常用名: AM-103 Free Acid
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 7.2890515
IUPAC: 3-[3-(tert-butylsulfanyl)-1-{[4-(6-methoxypyridin-3-yl)phenyl]methyl}-5-[(pyridin-2-yl)methoxy]-1H-indol-2-yl]-2,2-dimethylpropanoic acid
IUPAC: 3-[3-(tert-butylsulfanyl)-1-{[4-(6-methoxypyridin-3-yl)phenyl]methyl}-5-[(pyridin-2-yl)methoxy]-1H-indol-2-yl]-2,2-dimethylpropanoic acid
SMILES: COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1
SMILES: COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1
InChI key: DGCSBHYGDCRAOB-UHFFFAOYSA-N
