Smurf1-IN-A01
[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
Molecular Identity
Smurf1-IN-A01
[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
PubChem CID: 17555704
2D Structure
Properties
C22H20ClF3N4O3S
Molecular Formula
512.90
Molecular Weight
g/mol
512.0897
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
83.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
824
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Smurf1-IN-A011007647-73-5SMURF1 inhibitor A01(4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazin-1-yl)(4-(5-methyl-1H-pyrazol-1-yl)phenyl)methanoneA01C22H20ClF3N4O3S[4-[[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl]-1-piperazinyl][4-(5-methyl-1H-pyrazol-1-yl)phenyl]-methanone[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone1-[4-chloro-3-(trifluoromethyl)benzenesulfonyl]-4-[4-(5-methyl-1H-pyrazol-1-yl)benzoyl]piperazineA01;1-[4-Chloro-3-(trifluoromethyl)benzenesulfonyl]-4-[4-(5-methyl-1H-pyrazol-1-yl)benzoyl]piperazineA01 (Smurf1 inhibitor)QFYLTUDRXBNZFQ-UHFFFAOYSA-NMFCD09320899Smurf1-IN-A01?orb1307737
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Smurf1-IN-A01
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