HIT ID: HIT214434065
Cas No: 2488952-56-1
分子式: C28H28N2O4
分子量: 456.542
常用名: FXIa-IN-7
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 2.969
IUPAC: 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid
IUPAC: 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid
SMILES: CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@H](O)Cn1ccc2cccc(C(O)=O)c12
SMILES: CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@H](O)Cn1ccc2cccc(C(O)=O)c12
InChI key: GOERAAJVARXHDP-JWQCQUIFSA-N
