compound 9a [PMID: 22266036]

Ligand id: 6356

Name: compound 9a [PMID: 22266036]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 73.91
Molecular weight 351.1
XLogP 2.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
13-(dimethylamino)-5-(4-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one
Database Links
ChEMBL Ligand CHEMBL1951658
PubChem CID 16118119
Search Google for chemical match using the InChIKey KBKYZXCTHJUCOC-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey KBKYZXCTHJUCOC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KBKYZXCTHJUCOC