SB 228357   

GtoPdb Ligand ID: 192

Synonyms: SB-228357 | SB228357
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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)
InChI Key RRJLJKRFFRZRAF-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-(3-fluoro-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
Synonyms
SB-228357 | SB228357
Database Links
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
Search UniChem for chemical match using the InChIKey RRJLJKRFFRZRAF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RRJLJKRFFRZRAF

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Tocris
SB 228357
Cat. No. 1375