compound 24 [PMID: 20346665]

Ligand id: 6209

Name: compound 24 [PMID: 20346665]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 126.37
Molecular weight 324.08
XLogP 1.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
11,13-diamino-5-(4-methylphenyl)-8-thia-3,5,10,12-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one
Database Links
ChEMBL Ligand CHEMBL1093560
PubChem CID 46866191
Search Google for chemical match using the InChIKey NGINYBBVZOLUBV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NGINYBBVZOLUBV
Search UniChem for chemical match using the InChIKey NGINYBBVZOLUBV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NGINYBBVZOLUBV