CID16020046

Ligand id: 6577

Name: CID16020046

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 106.52
Molecular weight 425.14
XLogP 6.31
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[4-(3-hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]benzoic acid
Synonyms
CID 16020046
Database Links
CAS Registry No. 834903-43-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1341792
PubChem CID 16020046
Search Google for chemical match using the InChIKey VGUQVYZXABOXCX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VGUQVYZXABOXCX
Search UniChem for chemical match using the InChIKey VGUQVYZXABOXCX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VGUQVYZXABOXCX
Wikipedia CID-16020046