SB 228357   Click here for help

GtoPdb Ligand ID: 192

Synonyms: SB-228357 | SB228357
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 54.46
Molecular weight 431.13
XLogP 4.16
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1
Isomeric SMILES COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1
InChI InChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
SB-228357 | SB228357
Database Links Click here for help
Specialist databases
GPCRdb Ligand SB 228357
Other databases
BindingDB Ligand 50086056
CAS Registry No. 181629-93-6 (source: Scifinder)
ChEMBL Ligand CHEMBL14276
GtoPdb PubChem SID 135650995
PubChem CID 443390
Search Google for chemical match using the InChIKey RRJLJKRFFRZRAF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RRJLJKRFFRZRAF
UniChem Compound Search for chemical match using the InChIKey RRJLJKRFFRZRAF-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RRJLJKRFFRZRAF-UHFFFAOYSA-N

Product suppliers

View disclaimer

SB 228357 (links to external site)
Cat. No. 1375