HIT ID: HIT212651996
Cas No: T4692;2321337-71-5
分子式: C18H18ClN5O3S
分子量: 419.88
常用名: Protein kinase inhibitors 1 hydrochlorid
常用名: Protein kinase inhibitors 1 hydrochlorid
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: -1.004848
IUPAC: (5Z)-5-{[2-oxo-6'-(piperazin-1-yl)-1,2-dihydro-[3,3'-bipyridin]-5-yl]methylidene}-1,3-thiazolidine-2,4-dione hydrochloride
IUPAC: (5Z)-5-{[2-oxo-6'-(piperazin-1-yl)-1,2-dihydro-[3,3'-bipyridin]-5-yl]methylidene}-1,3-thiazolidine-2,4-dione hydrochloride
SMILES: Cl.O=C1NC(=O)\C(S1)=C\c1c[nH]c(=O)c(c1)-c1ccc(nc1)N1CCNCC1
SMILES: Cl.O=C1NC(=O)\C(S1)=C\c1c[nH]c(=O)c(c1)-c1ccc(nc1)N1CCNCC1
InChI key: PSLSZGRUEDWPNC-ZXDBEMHSSA-N