MEK1/2 inhibitor   

GtoPdb Ligand ID: 6008

Synonyms: SL-327 | SL327
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 101.13
Molecular weight 335.07
XLogP 3.74
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#CC(=C(Sc1ccc(cc1)N)N)c1ccccc1C(F)(F)F
Isomeric SMILES N#C/C(=C(\Sc1ccc(cc1)N)/N)/c1ccccc1C(F)(F)F
InChI InChI=1S/C16H12F3N3S/c17-16(18,19)14-4-2-1-3-12(14)13(9-20)15(22)23-11-7-5-10(21)6-8-11/h1-8H,21-22H2/b15-13+
InChI Key JLOXTZFYJNCPIS-FYWRMAATSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2Z)-3-amino-3-[(4-aminophenyl)sulfanyl]-2-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
Synonyms
SL-327 | SL327
Database Links
CAS Registry No. 305350-87-2
ChEMBL Ligand CHEMBL261237
GtoPdb PubChem SID 178102630
PubChem CID 9549284
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Tocris
SL 327
Cat. No. 1969