SB-219993

Ligand id: 2698

Name: SB-219993

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 85.03
Molecular weight 438.14
XLogP 4.41
No. Lipinski's rules broken 1

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
(2R)-3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-(2,2,2-trifluoroethoxy)propanoic acid
Database Links
CAS Registry No. 204928-88-1 (source: Scifinder)
GtoPdb PubChem SID 53801072
PubChem CID 9954802
Search Google for chemical match using the InChIKey IRAAJHYKQDFNFO-GOSISDBHSA-N
Search Google for chemicals with the same backbone IRAAJHYKQDFNFO
Search UniChem for chemical match using the InChIKey IRAAJHYKQDFNFO-GOSISDBHSA-N
Search UniChem for chemicals with the same backbone IRAAJHYKQDFNFO