ONO-8590580   Click here for help

GtoPdb Ligand ID: 9908

Compound class: Synthetic organic
Comment: A novel GABAA α5 negative allosteric modulator that enhances hippocampal memory function without an anxiogenic or proconvulsant risk.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 60.56
Molecular weight 376.18
XLogP 3.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cn1cnc(c1)c1ccc(nc1)Nc1cc2n(cnc2c(c1F)C)CC1CC1
Isomeric SMILES Cn1cnc(c1)c1ccc(nc1)Nc1cc2n(cnc2c(c1F)C)CC1CC1
InChI InChI=1S/C21H21FN6/c1-13-20(22)16(7-18-21(13)25-12-28(18)9-14-3-4-14)26-19-6-5-15(8-23-19)17-10-27(2)11-24-17/h5-8,10-12,14H,3-4,9H2,1-2H3,(H,23,26)
InChI Key INGJMHPGMVUEKY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(cyclopropylmethyl)-5-fluoro-4-methyl-N-[5-(1-methyl-1H-imidazol-4-yl)pyridin-2-yl]-1H-1,3-benzodiazol-6-amine
Database Links Click here for help
GtoPdb PubChem SID 363894202
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UniChem Connectivity Search for chemical match using the InChIKey INGJMHPGMVUEKY-UHFFFAOYSA-N