compound 10i [PMID: 23084894]

Ligand id: 6365

Name: compound 10i [PMID: 23084894]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 95.59
Molecular weight 365.09
XLogP 2.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
13-(cyclopropylamino)-5-(4-methoxyphenyl)-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 CHEMBL2205915
PubChem CID 57559562
Search Google for chemical match using the InChIKey DBUMITZHDMTTNX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DBUMITZHDMTTNX
Search UniChem for chemical match using the InChIKey DBUMITZHDMTTNX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DBUMITZHDMTTNX