CPPHA   Click here for help

GtoPdb Ligand ID: 1423

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 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 86.71
Molecular weight 406.07
XLogP 4.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Clc1ccc(c(c1)CN1C(=O)c2c(C1=O)cccc2)NC(=O)c1ccccc1O
Isomeric SMILES Clc1ccc(c(c1)CN1C(=O)c2c(C1=O)cccc2)NC(=O)c1ccccc1O
InChI InChI=1S/C22H15ClN2O4/c23-14-9-10-18(24-20(27)17-7-3-4-8-19(17)26)13(11-14)12-25-21(28)15-5-1-2-6-16(15)22(25)29/h1-11,26H,12H2,(H,24,27)
InChI Key UFOUABRZSDGGAZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-hydroxybenzamide
Database Links Click here for help
Specialist databases
GPCRdb Ligand CPPHA
Other databases
BindingDB Ligand 50156070
CAS Registry No. 693288-97-0 (source: Scifinder)
ChEMBL Ligand CHEMBL366217
GtoPdb PubChem SID 135650135
PubChem CID 9931205
Search Google for chemical match using the InChIKey UFOUABRZSDGGAZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UFOUABRZSDGGAZ
UniChem Compound Search for chemical match using the InChIKey UFOUABRZSDGGAZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey UFOUABRZSDGGAZ-UHFFFAOYSA-N

Product suppliers

View disclaimer

Tocris
CPPHA (links to external site)
Cat. No. 4787