TCS-OX2-29

Ligand id: 4038

Name: TCS-OX2-29

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 63.69
Molecular weight 397.24
XLogP 2.82
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(pyridin-4-ylmethylamino)butan-1-one
Synonyms
compound 29 [PMID: 14643355] [1] | KB-11822 | TCS OX2 29
Database Links
CAS Registry No. 372523-75-6 (source: Scifinder)
ChEMBL Ligand CHEMBL142009
PubChem CID 10408514
Search Google for chemical match using the InChIKey COFVZFLCAOUMJT-OAQYLSRUSA-N
Search Google for chemicals with the same backbone COFVZFLCAOUMJT
Search UniChem for chemical match using the InChIKey COFVZFLCAOUMJT-OAQYLSRUSA-N
Search UniChem for chemicals with the same backbone COFVZFLCAOUMJT
Wikipedia TCS-OX2-29