CDC

Ligand id: 5162

Name: CDC

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 90.55
Molecular weight 321.1
XLogP 5.41
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2E)-3-phenylprop-2-en-1-yl (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate
Synonyms
cinnamyl-3,4-dihydroxy-α-cyanocinnamate
Database Links
CAS Registry No. 132465-11-3
ChEMBL Ligand CHEMBL37141
PubChem CID 14840979
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