Compound Summary
Compound Information
CGS-12066A maleate
Compound Name: | CGS-12066A maleate |
Compound CID: | 6438352 |
Synonyms: | CGS-12066A maleate CGS-12066 maleate salt CGS 12066B dimaleate CGS 12066B CGS-12066A maleate salt More... |
Iupac Name: | (Z)-but-2-enedioic acid;4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline |
InChI: | InChI=1S/C17H17F3N4.C4H4O4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16;5-3(6)1-2-4(7)8/h2-6,11H,7-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
InChIKey: | ZBPAHEUAJMCLRD-BTJKTKAUSA-N |
Canonical Smiles: | CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4.C(=C\C(=O)O)\C(=O)O |
Molecular Weight: | 450.4 |
Molecular Formula: | C21H21F3N4O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
CGS-12066A maleate
Molecular Weight: | 450.4 |
Molecular Formula: | C21H21F3N4O4 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 10 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 32 |
Complexity: | 569 |
Synonyms
CGS-12066A maleate
| CGS-12066A maleate | CGS-12066A maleate |
|---|---|
CGS-12066A maleate |
CGS-12066 maleate salt |
CGS 12066B dimaleate |
CGS 12066B |
CGS-12066A maleate salt |
CPD000468733 |
1350965-83-1 (maleate) |
1350965-83-1 |
7-Trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo-1,2-aquinoxaline maleate salt |
109028-10-6 |
4-(4-Methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo1,2-aquinoxaline maleate |
SR-01000075259 |
MLS000860007 |
MLS001424273 |
SCHEMBL7746196 |
CHEMBL1256689 |
CGS-12066 maleate salt, solid |
HMS2052P09 |
HMS2231A12 |
HMS3261C05 |
Tox21_500332 |
CCG-101182 |
LP00332 |
NC00432 |
NCGC00093772-01 |
NCGC00261017-01 |
SMR000326866 |
SMR000468733 |
C-106 |
EU-0100332 |
E75141 |
J-006642 |
SR-01000075259-1 |
7-Trifluoromethyl-4(4-methyl-1-piperazinyl)-pyrrolo1,2-aquinoxaline maleate |
Experimental Data
CGS-12066A maleate
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | -13 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
CGS-12066A maleate
Statistics Data
CGS-12066A maleate
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -13 | 1 | 1 |
Statistics Data Visualization
CGS-12066A maleate
