TROX-1

Ligand id: 7766

Name: TROX-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 87.66
Molecular weight 434.11
XLogP 4.29
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)indol-2-one
Database Links
PubChem CID 57466939
Search Google for chemical match using the InChIKey OABSWPUPIHULMQ-JOCHJYFZSA-N
Search Google for chemicals with the same backbone OABSWPUPIHULMQ
Search UniChem for chemical match using the InChIKey OABSWPUPIHULMQ-JOCHJYFZSA-N
Search UniChem for chemicals with the same backbone OABSWPUPIHULMQ
Wikipedia TROX-1
Comments
Note that this compound is also represented on PubChem by CID 25256198 which does not specifiy stereochemistry.