GSK-2879552 dihydrochlorideProduct ingredient for GSK-2879552
- Name
- GSK-2879552 dihydrochloride
- Drug Entry
- GSK-2879552
- Accession Number
- DBSALT003227
- Structure
Structure for GSK-2879552 dihydrochloride (DBSALT003227)
- Synonyms
- GSK-2879552 2HCl / GSK2879552 2HCl / GSK2879552 dihydrochloride
- UNII
- Not Available
- CAS Number
- 1902123-72-1
- Weight
- Average: 437.41
Monoisotopic: 436.1684336 - Chemical Formula
- C23H30Cl2N2O2
- InChI Key
- QEKGSBZKRLHQSZ-VSIGASKDSA-N
- InChI
- InChI=1S/C23H28N2O2.2ClH/c26-23(27)20-8-6-18(7-9-20)16-25-12-10-17(11-13-25)15-24-22-14-21(22)19-4-2-1-3-5-19;;/h1-9,17,21-22,24H,10-16H2,(H,26,27);2*1H/t21-,22+;;/m0../s1
- IUPAC Name
- 4-{[4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]methyl}benzoic acid dihydrochloride
- SMILES
- Cl.Cl.OC(=O)C1=CC=C(CN2CCC(CN[C@@H]3C[C@H]3C3=CC=CC=C3)CC2)C=C1
- External Links
- ChemSpider
- 60600542
- Predicted Properties
Property Value Source Water Solubility 0.00221 mg/mL ALOGPS logP 2.52 ALOGPS logP 0.93 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 3.64 Chemaxon pKa (Strongest Basic) 10.2 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 52.57 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 108.61 m3·mol-1 Chemaxon Polarizability 42.73 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon