VU-29   Click here for help

GtoPdb Ligand ID: 6403

Synonyms: VU 29
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
Canonical SMILES O=C(c1ccc(cc1)N(=O)=O)Nc1cc(nn1c1ccccc1)c1ccccc1
Isomeric SMILES O=C(c1ccc(cc1)N(=O)=O)Nc1cc(nn1c1ccccc1)c1ccccc1
InChI InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)23-21-15-20(16-7-3-1-4-8-16)24-25(21)18-9-5-2-6-10-18/h1-15H,(H,23,27)
InChI Key KIALCSMRIHRFPL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[2,5-di(phenyl)pyrazol-3-yl]-4-nitrobenzamide
Synonyms Click here for help
VU 29
Database Links Click here for help
CAS Registry No. 890764-36-0 (source: Scifinder)
ChEMBL Ligand CHEMBL411221
GtoPdb PubChem SID 178103019
PubChem CID 11610682
Search Google for chemical match using the InChIKey KIALCSMRIHRFPL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KIALCSMRIHRFPL
UniChem Compound Search for chemical match using the InChIKey KIALCSMRIHRFPL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KIALCSMRIHRFPL-UHFFFAOYSA-N

Product suppliers

View disclaimer

Tocris
VU 29 (links to external site)
Cat. No. 4458