L760735

Ligand id: 10349

Name: L760735

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 66.51
Molecular weight 575.21
XLogP 6.21
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine
Comments
High affinity NK1 antagonist
Database Links
CAS Registry No. 188923-01-5
GtoPdb PubChem SID 381745030
PubChem CID 9809077
RCSB PDB Ligand L76
Search Google for chemical match using the InChIKey USRYEHHMJIRICK-ZNZBMKLDSA-N
Search Google for chemicals with the same backbone USRYEHHMJIRICK
Search UniChem for chemical match using the InChIKey USRYEHHMJIRICK-ZNZBMKLDSA-N
Search UniChem for chemicals with the same backbone USRYEHHMJIRICK