HIT ID: HIT212651517
Cas No: 866206-55-5
分子式: C23H21ClFN5O4S
分子量: 517.96
常用名: PRX-08066 Maleic acid
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 3.880576
IUPAC: (2Z)-but-2-enedioic acid; 5-{[4-({6-chlorothieno[2,3-d]pyrimidin-4-yl}amino)piperidin-1-yl]methyl}-2-fluorobenzonitrile
IUPAC: (2Z)-but-2-enedioic acid; 5-{[4-({6-chlorothieno[2,3-d]pyrimidin-4-yl}amino)piperidin-1-yl]methyl}-2-fluorobenzonitrile
SMILES: OC(=O)\C=C/C(O)=O.Fc1ccc(CN2CCC(CC2)Nc2ncnc3sc(Cl)cc23)cc1C#N
SMILES: OC(=O)\C=C/C(O)=O.Fc1ccc(CN2CCC(CC2)Nc2ncnc3sc(Cl)cc23)cc1C#N
InChI key: RPYIKXHIQXRXEM-BTJKTKAUSA-N
