compound 9n [PMID: 23084894]

Ligand id: 6362

Name: compound 9n [PMID: 23084894]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 86.8
Molecular weight 371.09
XLogP 1.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
13-(dimethylamino)-5-(2-fluoro-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 CHEMBL2205377
GtoPdb PubChem SID 178102980
PubChem CID 16725048
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