[3H]CGS8216   Click here for help

GtoPdb Ligand ID: 4366

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 50.16
Molecular weight 261.09
XLogP 3.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=c1n([nH]c2c1cnc1c2cccc1)c1ccccc1
Isomeric SMILES O=c1n([nH]c2c1cnc1c2cccc1)c1ccccc1
InChI InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H
InChI Key XTYGFVVANLMBHE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-phenyl-1H-pyrazolo[4,5-c]quinolin-3-one
Database Links Click here for help
GtoPdb PubChem SID 178101181
PubChem CID 104916
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Wikipedia CGS-8216