GSK1331268   Click here for help

GtoPdb Ligand ID: 6253

Synonyms: GSK 1331268 | GSK-1331268
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 0
Rotatable bonds 3
Topological polar surface area 50.08
Molecular weight 342.14
XLogP 2.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1cnc(nc1)N1CCN(CC1)Cc1nc2c(n1C)cccc2
Isomeric SMILES Clc1cnc(nc1)N1CCN(CC1)Cc1nc2c(n1C)cccc2
InChI InChI=1S/C17H19ClN6/c1-22-15-5-3-2-4-14(15)21-16(22)12-23-6-8-24(9-7-23)17-19-10-13(18)11-20-17/h2-5,10-11H,6-9,12H2,1H3
InChI Key IXXZGBOSQDVMTC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-{[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl}-1-methyl-1H-1,3-benzodiazole
Synonyms Click here for help
GSK 1331268 | GSK-1331268
Database Links Click here for help
Specialist databases
GPCRdb Ligand GSK1331268
Other databases
CAS Registry No. 1207197-70-3 (source: Scifinder)
ChEMBL Ligand CHEMBL595759
GtoPdb PubChem SID 178102873
PubChem CID 46190878
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UniChem Connectivity Search for chemical match using the InChIKey IXXZGBOSQDVMTC-UHFFFAOYSA-N