casp 4 inhib

Ligand id: 8635

Name: casp 4 inhib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 80.52
Molecular weight 206.03
XLogP 1.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
1-methyl-5-nitro-isatin | 5-nitro-isatin 1 [PMID: 11384246]
Database Links
CAS Registry No. 3484-32-0 (source: PubChem)
ChEMBL Ligand CHEMBL293622
GtoPdb PubChem SID 252166835
PubChem CID 515950
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