Compound Summary
CHEMBL1596271
Compound Information
CHEMBL1596271
Compound Name: | CHEMBL1596271 |
Compound CID: | 23696706 |
Synonyms: | CHEMBL1596271 HMS3263J22 Tox21_501250 CCG-222554 LP01250 More... |
Iupac Name: | sodium;1,2-benzoxazol-3-ylmethanesulfonimidate |
InChI: | InChI=1S/C8H8N2O3S.Na/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7;/h1-4H,5H2,(H2,9,11,12);/q;+1/p-1 |
InChIKey: | QVADSMGRZHVGPL-UHFFFAOYSA-M |
Canonical Smiles: | C1=CC=C2C(=C1)C(=NO2)CS(=N)(=O)[O-].[Na+] |
Isomeric Smiles: | C1=CC=C2C(=C1)C(=NO2)CS(=N)(=O)[O-].[Na+] |
Molecular Weight: | 234.21 |
Molecular Formula: | C8H7N2NaO3S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
CHEMBL1596271
Molecular Weight: | 234.21 |
Molecular Formula: | C8H7N2NaO3S |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 15 |
Complexity: | 319 |
Synonyms
CHEMBL1596271
| CHEMBL1596271 | CHEMBL1596271 |
|---|---|
CHEMBL1596271 |
HMS3263J22 |
Tox21_501250 |
CCG-222554 |
LP01250 |
NCGC00094490-01 |
NCGC00261935-01 |
EU-0101250 |
Experimental Data
CHEMBL1596271
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -4.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
CHEMBL1596271
Statistics Data
CHEMBL1596271
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -4.000000000000000 | 1 | 1 |
Statistics Data Visualization
CHEMBL1596271
