CDPPB   Click here for help

GtoPdb Ligand ID: 1422

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 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 70.19
Molecular weight 364.13
XLogP 5.21
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES N#Cc1cccc(c1)C(=O)Nc1cc(nn1c1ccccc1)c1ccccc1
Isomeric SMILES N#Cc1cccc(c1)C(=O)Nc1cc(nn1c1ccccc1)c1ccccc1
InChI InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)
InChI Key BKUIZWILNWHFHD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-cyano-N-[2,5-di(phenyl)pyrazol-3-yl]benzamide
Database Links Click here for help
BindingDB Ligand 50156071
CAS Registry No. 781652-57-1 (source: Scifinder)
ChEMBL Ligand CHEMBL190270
GtoPdb PubChem SID 135650062
PubChem CID 11245456
Search Google for chemical match using the InChIKey BKUIZWILNWHFHD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BKUIZWILNWHFHD
Search UniChem for chemical match using the InChIKey BKUIZWILNWHFHD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BKUIZWILNWHFHD
Wikipedia CDPPB

Product suppliers

View disclaimer

Tocris
CDPPB
Cat. No. 3235