HIT ID: HIT212709042
Cas No: 1797983-32-4
分子式: C24H28ClN5O2
分子量: 453.97
常用名: GSK J5 HCl (1394854-51-3 free base)
常用名: GSK J5 HCl (1394854-51-3 free base)
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 4.358718
IUPAC: ethyl 3-{[2-(pyridin-3-yl)-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)pyrimidin-4-yl]amino}propanoate hydrochloride
IUPAC: ethyl 3-{[2-(pyridin-3-yl)-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)pyrimidin-4-yl]amino}propanoate hydrochloride
SMILES: Cl.CCOC(=O)CCNc1cc(nc(n1)-c1cccnc1)N1CCc2ccccc2CC1
SMILES: Cl.CCOC(=O)CCNc1cc(nc(n1)-c1cccnc1)N1CCc2ccccc2CC1
InChI key: QQHQMHJAOKADED-UHFFFAOYSA-N
