SB 221284   Click here for help

GtoPdb Ligand ID: 191

Synonyms: SB-221284 | SB221284
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 70.53
Molecular weight 353.08
XLogP 2.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1
Isomeric SMILES CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1
InChI InChI=1S/C16H14F3N3OS/c1-24-14-7-10-4-6-22(13(10)8-12(14)16(17,18)19)15(23)21-11-3-2-5-20-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,21,23)
InChI Key OQZOXHCRSXYSPM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-methylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
Synonyms Click here for help
SB-221284 | SB221284
Database Links Click here for help
BindingDB Ligand 50060418
CAS Registry No. 196965-14-7 (source: Scifinder)
ChEMBL Ligand CHEMBL276140
GtoPdb PubChem SID 135650990
PubChem CID 443389
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Tocris
SB 221284
Cat. No. 1379