VU-71   Click here for help

GtoPdb Ligand ID: 6207

Synonyms: VU71
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 92.22
Molecular weight 384.12
XLogP 5.38
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1ccc(cc1)N(=O)=O)Nc1c(cnn1c1ccccc1)c1ccccc1
Isomeric SMILES O=C(c1ccc(cc1)N(=O)=O)Nc1c(cnn1c1ccccc1)c1ccccc1
InChI InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)24-21-20(16-7-3-1-4-8-16)15-23-25(21)18-9-5-2-6-10-18/h1-15H,(H,24,27)
InChI Key UCQCMSNDKYLLFD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[2,4-di(phenyl)pyrazol-3-yl]-4-nitrobenzamide
Synonyms Click here for help
VU71
Database Links Click here for help
Specialist databases
GPCRdb Ligand VU-71
Other databases
ChEMBL Ligand CHEMBL377636
GtoPdb PubChem SID 178102828
PubChem CID 11523834
Search Google for chemical match using the InChIKey UCQCMSNDKYLLFD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UCQCMSNDKYLLFD
UniChem Compound Search for chemical match using the InChIKey UCQCMSNDKYLLFD-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey UCQCMSNDKYLLFD-UHFFFAOYSA-N