HIT ID: HIT212670611
Cas No: 2413716-15-9
分子式: C29H33N3O3
分子量: 471.601
常用名: TCMDC-135051
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 3.1036043
IUPAC: 4-(2-{5-[(diethylamino)methyl]-2-methoxyphenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(propan-2-yl)benzoic acid
IUPAC: 4-(2-{5-[(diethylamino)methyl]-2-methoxyphenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(propan-2-yl)benzoic acid
SMILES: CCN(CC)Cc1ccc(OC)c(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(C(O)=O)c(c1)C(C)C
SMILES: CCN(CC)Cc1ccc(OC)c(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(C(O)=O)c(c1)C(C)C
InChI key: XKLPRHHLSQBUIC-UHFFFAOYSA-N
