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Details

Stereochemistry ACHIRAL
Molecular Formula C25H28N2O5S2
Molecular Weight 500.63
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ONO-8539

SMILES

CC(C)CN(C1=CC2=C(CCC2)C=C1OCC3=CC=C(C=C3C)C(O)=O)S(=O)(=O)C4=NC=CS4

InChI

InChIKey=ALLLQQUASFFEKP-UHFFFAOYSA-N
InChI=1S/C25H28N2O5S2/c1-16(2)14-27(34(30,31)25-26-9-10-33-25)22-12-18-5-4-6-19(18)13-23(22)32-15-21-8-7-20(24(28)29)11-17(21)3/h7-13,16H,4-6,14-15H2,1-3H3,(H,28,29)

HIDE SMILES / InChI

Molecular Formula C25H28N2O5S2
Molecular Weight 500.63
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 00:19:16 GMT 2025
Edited
by admin
on Wed Apr 02 00:19:16 GMT 2025
Record UNII
94W010PZ1Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ONO-8539
Code English
4-(((6-(ISOBUTYL(1,3-THIAZOL-2-YLSULFONYL)AMINO)- 2,3-DIHYDRO-1H-INDEN-5-YL)OXY)METHYL)- 3-METHYLBENZOIC ACID
Preferred Name English
BENZOIC ACID, 4-(((2,3-DIHYDRO-6-((2-METHYLPROPYL)(2-THIAZOLYLSULFONYL)AMINO)-1H-INDEN-5-YL)OXY)METHYL)-3-METHYL-
Systematic Name English
Code System Code Type Description
CAS
459842-29-6
Created by admin on Wed Apr 02 00:19:16 GMT 2025 , Edited by admin on Wed Apr 02 00:19:16 GMT 2025
PRIMARY
PUBCHEM
23106477
Created by admin on Wed Apr 02 00:19:16 GMT 2025 , Edited by admin on Wed Apr 02 00:19:16 GMT 2025
PRIMARY
SMS_ID
100000175554
Created by admin on Wed Apr 02 00:19:16 GMT 2025 , Edited by admin on Wed Apr 02 00:19:16 GMT 2025
PRIMARY
CAS
1599477-69-6
Created by admin on Wed Apr 02 00:19:16 GMT 2025 , Edited by admin on Wed Apr 02 00:19:16 GMT 2025
NO STRUCTURE GIVEN
DRUG BANK
DB15325
Created by admin on Wed Apr 02 00:19:16 GMT 2025 , Edited by admin on Wed Apr 02 00:19:16 GMT 2025
PRIMARY
FDA UNII
94W010PZ1Z
Created by admin on Wed Apr 02 00:19:16 GMT 2025 , Edited by admin on Wed Apr 02 00:19:16 GMT 2025
PRIMARY
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TARGET -> INHIBITOR
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ACTIVE MOIETY