Compound Summary
GR 125487 sulfamate salt
Compound Information
GR 125487 sulfamate salt
Compound Name: | GR 125487 sulfamate salt |
Compound CID: | 11957556 |
Synonyms: | GR 125487 sulfamate salt EU-0100579 NCGC00093960-01 NCGC00093960-02 G 6043 More... |
Iupac Name: | hydron;[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate;sulfamate |
InChI: | InChI=1S/C19H26FN3O5S.H3NO3S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26;1-5(2,3)4/h3-4,11,13,21-22H,5-10,12H2,1-2H3;(H3,1,2,3,4) |
InChIKey: | VQJFDBXITIOGJM-UHFFFAOYSA-N |
Canonical Smiles: | [H+].COC1=C(C2=C(N1)C=CC(=C2)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C.NS(=O)(=O)[O-] |
Isomeric Smiles: | [H+].COC1=C(C2=C(N1)C=CC(=C2)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C.NS(=O)(=O)[O-] |
Molecular Weight: | 524.6 |
Molecular Formula: | C19H29FN4O8S2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
GR 125487 sulfamate salt
Molecular Weight: | 524.6 |
Molecular Formula: | C19H29FN4O8S2 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 12 |
Rotatable Bond Count: | 9 |
Heavy Atom Count: | 34 |
Complexity: | 730 |
Synonyms
GR 125487 sulfamate salt
| GR 125487 sulfamate salt | GR 125487 sulfamate salt |
|---|---|
GR 125487 sulfamate salt |
EU-0100579 |
NCGC00093960-01 |
NCGC00093960-02 |
G 6043 |
1-2-(Methylsulfonyl)aminoethyl-4-piperidinylmethyl-5-fluoro-2-methoxy-1H-indole-3-carboxylate |
Experimental Data
GR 125487 sulfamate salt
| 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 | 3.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
GR 125487 sulfamate salt
Statistics Data
GR 125487 sulfamate salt
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 3.000000000000000 | 1 | 1 |
Statistics Data Visualization
GR 125487 sulfamate salt
