THIQ

Ligand id: 1338

Name: THIQ

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 92.15
Molecular weight 588.3
XLogP 7.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Database Links
CAS Registry No. 312637-48-2 (source: Scifinder)
ChEMBL Ligand CHEMBL339053
PubChem CID 9938402
Search Google for chemical match using the InChIKey HLCHESOMJVGDSJ-LOYHVIPDSA-N
Search Google for chemicals with the same backbone HLCHESOMJVGDSJ
Search UniChem for chemical match using the InChIKey HLCHESOMJVGDSJ-LOYHVIPDSA-N
Search UniChem for chemicals with the same backbone HLCHESOMJVGDSJ
Wikipedia THIQ