Danirixin
1-[4-chloro-2-hydroxy-3-[(3S)-piperidin-3-yl]sulfonylphenyl]-3-(3-fluoro-2-methylphenyl)urea
Molecular Identity
Danirixin
1-[4-chloro-2-hydroxy-3-[(3S)-piperidin-3-yl]sulfonylphenyl]-3-(3-fluoro-2-methylphenyl)urea
PubChem CID: 24780598
2D Structure
Properties
C19H21ClFN3O4S
Molecular Formula
441.90
Molecular Weight
g/mol
441.0925
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
116
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
6
H-Bond Acceptors
677
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC=C1F)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)C3CCCNC3)OIsomeric SMILES
SMILES: CC1=C(C=CC=C1F)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)[C@H]3CCCNC3)OSynonyms(20)
Danirixin954126-98-8GSK1325756GSK-1325756BDanirixinaDanirixineGSK1325756BR318PGH5VP1-(4-Chloro-2-hydroxy-3-(((3S)-piperidine-3-sulfonyl)phenyl)-3-(3-fluoro-2-methylphenyl)urea1-[4-chloro-2-hydroxy-3-[(3S)-piperidin-3-yl]sulfonylphenyl]-3-(3-fluoro-2-methylphenyl)ureadanirixinum1-(4-chloro-2-hydroxy-3-((3S)-piperidin-3-yl)sulfonylphenyl)-3-(3-fluoro-2-methylphenyl)ureaRefChem:5851661-(4-chloro-2-hydroxy-3-((3S)-piperidine-3-sulfonyl)phenyl)-3-(3-fluoro-2-methylphenyl)ureaDanirixin (GSK1325756)
Data from PubChem (NCBI)
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