Ono-8539
3-methyl-4-[[6-[2-methylpropyl(1,3-thiazol-2-ylsulfonyl)amino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzoic acid
Molecular Identity
Ono-8539
3-methyl-4-[[6-[2-methylpropyl(1,3-thiazol-2-ylsulfonyl)amino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzoic acid
PubChem CID: 23106477
2D Structure
Properties
C25H28N2O5S2
Molecular Formula
500.60
Molecular Weight
g/mol
500.1440
Exact Mass
Da
5.5
XLogP
Above Lipinski threshold
133
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
802
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC(=C1)C(=O)O)COC2=C(C=C3CCCC3=C2)N(CC(C)C)S(=O)(=O)C4=NC=CS4Isomeric SMILES
SMILES: CC1=C(C=CC(=C1)C(=O)O)COC2=C(C=C3CCCC3=C2)N(CC(C)C)S(=O)(=O)C4=NC=CS4Synonyms(20)
ONO-853994W010PZ1Z459842-29-6Benzoic acid, 4-(((2,3-dihydro-6-((2-methylpropyl)(2-thiazolylsulfonyl)amino)-1H-inden-5-yl)oxy)methyl)-3-methyl-RefChem:1682853-methyl-4-(((6-(N-(2-methylpropyl)1,3-thiazole-2-sulfonamido)-2,3-dihydro-1H-inden-5-yl)oxy)methyl)benzoic acid4-(((6-(ISOBUTYL(1,3-THIAZOL-2-YLSULFONYL)AMINO)-2,3-DIHYDRO-1H-INDEN-5-YL)OXY)METHYL)-3-METHYLBENZOIC ACIDUNII-94W010PZ1Z4-(((6-(Isobutyl(1,3-thiazol-2-ylsulfonyl)amino)- 2,3-dihydro-1H-inden-5-yl)oxy)methyl)- 3-methylbenzoic acid3-methyl-4-((6-(2-methylpropyl(1,3-thiazol-2-ylsulfonyl)amino)-2,3-dihydro-1-(H)-inden-5-yl)oxymethyl)benzoic acidSCHEMBL214853orb1740251US9181187, Compound ACHEMBL3912251SCHEMBL29572731
Data from PubChem (NCBI)
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