Ki16425

Ligand id: 2907

Name: Ki16425

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 126.96
Molecular weight 488.12
XLogP 6.4
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[({4-[4-({[1-(2-chloro-4-methylphenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid
Database Links
CAS Registry No. 355025-24-0 (source: Scifinder)
PubChem CID 56947074
Search Google for chemical match using the InChIKey NAKZZTXWHXCEPO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NAKZZTXWHXCEPO
Search UniChem for chemical match using the InChIKey NAKZZTXWHXCEPO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NAKZZTXWHXCEPO