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
Comments
Note that this compound is also represented on PubChem by CID 25256198 which does not specifiy stereochemistry.
Database Links
GtoPdb PubChem SID 223366099
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