TPI 1361-17

Ligand id: 1315

Name: TPI 1361-17

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 115
Molecular weight 470.26
XLogP 6.77
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[3-[(4S)-3-[2-(3-fluorophenyl)ethyl]-1-[(2S)-1-(phenylmethylamino)propan-2-yl]-2-sulfanylideneimidazolidin-4-yl]propyl]guanidine
Database Links
ChEMBL Ligand CHEMBL2147477
PubChem CID 11305934
Search Google for chemical match using the InChIKey DSJVYEAOYVHUJW-CVDCTZTESA-N
Search Google for chemicals with the same backbone DSJVYEAOYVHUJW
Search UniChem for chemical match using the InChIKey DSJVYEAOYVHUJW-CVDCTZTESA-N
Search UniChem for chemicals with the same backbone DSJVYEAOYVHUJW