compound 22 [PMID: 17276684]

Ligand id: 6358

Name: compound 22 [PMID: 17276684]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 54.12
Molecular weight 306.14
XLogP 4.5
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-methyl-6-(phenylmethoxy)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Database Links
ChEMBL Ligand CHEMBL396712
PubChem CID 16739288
Search Google for chemical match using the InChIKey DYTMNPUOZGPWQA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DYTMNPUOZGPWQA
Search UniChem for chemical match using the InChIKey DYTMNPUOZGPWQA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DYTMNPUOZGPWQA