GSK2193874   Click here for help

GtoPdb Ligand ID: 6465

Synonyms: GSK 2193874 | GSK-2193874
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 48.47
Molecular weight 690.22
XLogP 8.3
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Brc1ccc2c(c1)nc(c(c2C(=O)NC1(CC1)c1ccccc1)CN1CCC(CC1)N1CCCCC1)c1cccc(c1)C(F)(F)F
Isomeric SMILES Brc1ccc2c(c1)nc(c(c2C(=O)NC1(CC1)c1ccccc1)CN1CCC(CC1)N1CCCCC1)c1cccc(c1)C(F)(F)F
InChI InChI=1S/C37H38BrF3N4O/c38-28-12-13-30-32(23-28)42-34(25-8-7-11-27(22-25)37(39,40)41)31(24-44-20-14-29(15-21-44)45-18-5-2-6-19-45)33(30)35(46)43-36(16-17-36)26-9-3-1-4-10-26/h1,3-4,7-13,22-23,29H,2,5-6,14-21,24H2,(H,43,46)
InChI Key UIVOZBSCHXCGPS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
7-bromo-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl) methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
Synonyms Click here for help
GSK 2193874 | GSK-2193874
Database Links Click here for help
GtoPdb PubChem SID 178103079
PubChem CID 53464483
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UniChem Connectivity Search for chemical match using the InChIKey UIVOZBSCHXCGPS-UHFFFAOYSA-N

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Tocris
GSK 2193874 (links to external site)
Cat. No. 5106