JT-001
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
Molecular Identity
JT-001
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
PubChem CID: 135240787
2D Structure
Properties
C19H22N4O4S
Molecular Formula
402.50
Molecular Weight
g/mol
402.1362
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
111
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
691
Complexity
SMILES
Canonical SMILES
SMILES: C1CC2=CC3=C(CCC3)C(=C2C1)NC(=O)NS(=O)(=O)C4=C5N(CCCO5)N=C4Isomeric SMILES
SMILES: C1CC2=CC3=C(CCC3)C(=C2C1)NC(=O)NS(=O)(=O)C4=C5N(CCCO5)N=C4Synonyms(20)
2238819-65-1JT-001JT00143K4X7JG75RefChem:923977NLRP3-IN-19CHEMBL5219660N-((1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)carbamoyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide5H-Pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide, N-[[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]carbonyl]-6,7-dihydro-orb1944187SCHEMBL20399904EX-A9114BDBM50607506JT001 (NLRP3-IN-19)DA-56204
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to JT-001
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