HIT ID: HIT212036415
Cas No: 1443235-95-7
分子式: C19H18N4O3
分子量: 350.378
常用名: JAK3-IN-6
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 3.298874
IUPAC: ethyl 4-[3-(2-methylprop-2-enamido)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
IUPAC: ethyl 4-[3-(2-methylprop-2-enamido)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
SMILES: CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(C)=C)c3)c12
SMILES: CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(C)=C)c3)c12
InChI key: NJPHKVOXHRAPGJ-UHFFFAOYSA-N
