CDDO-Me

Ligand Id: 3443
Ligand name CDDO-Me

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 84.23
Molecular weight 505.32
XLogP 6.62
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure
Classification
Compound class Synthetic organic
IUPAC Name
methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate
Synonyms
2-cyano-3,12-dioxooleana-1,9-dien-28-oic acid methyl ester
Database Links
CAS Registry No. 218600-53-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1762621
PubChem CID 400769
Search Google for chemical match using the InChIKey WPTTVJLTNAWYAO-KPOXMGGZSA-N
Search Google for chemicals with the same backbone WPTTVJLTNAWYAO