Monlunabant
N-[(E)-N'-[(E)-C-[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylcarbonimidoyl]carbamimidoyl]acetamide
Molecular Identity
Monlunabant
N-[(E)-N'-[(E)-C-[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylcarbonimidoyl]carbamimidoyl]acetamide
PubChem CID: 156861524
2D Structure
Properties
C26H22ClF3N6O3S
Molecular Formula
591.00
Molecular Weight
g/mol
590.1115
Exact Mass
Da
5.4
XLogP
Above Lipinski threshold
138
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
1100
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)NC(=NC(=NS(=O)(=O)C1=CC=C(C=C1)C(F)(F)F)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)NIsomeric SMILES
SMILES: CC(=O)N/C(=N/C(=N\S(=O)(=O)C1=CC=C(C=C1)C(F)(F)F)/N2C[C@@H](C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)/NSynonyms(9)
Monlunabant2712480-46-9MRI-1891RefChem:10898084G8X27X87AMRI-1891, (S)-(S)-N-(N-((3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl)((4-(trifluoromethyl)phenyl)sulfonamido)methylene)carbamimidoyl)acetamideCHEMBL5435445T79137
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Monlunabant
Loading drug network...