Compound Summary
t-1032
Compound Information
t-1032
Compound Name: | t-1032 |
Compound CID: | 9874535 |
Synonyms: | t-1032 CHEMBL77971 UNII-H68FTS7316 H68FTS7316 212500-03-3 More... |
Iupac Name: | methyl 2-(4-aminophenyl)-1-oxo-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate;sulfuric acid |
InChI: | InChI=1S/C32H29N3O7.H2O4S/c1-38-26-15-19(16-27(39-2)30(26)40-3)28-24-13-12-23(42-18-21-7-5-6-14-34-21)17-25(24)31(36)35(29(28)32(37)41-4)22-10-8-20(33)9-11-22;1-5(2,3)4/h5-17H,18,33H2,1-4H3;(H2,1,2,3,4) |
InChIKey: | NVGOUBIJVPSVSL-UHFFFAOYSA-N |
Canonical Smiles: | COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC=CC=N4)C5=CC=C(C=C5)N)C(=O)OC.OS(=O)(=O)O |
Isomeric Smiles: | COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC=CC=N4)C5=CC=C(C=C5)N)C(=O)OC.OS(=O)(=O)O |
Molecular Weight: | 665.7 |
Molecular Formula: | C32H31N3O11S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
t-1032
Molecular Weight: | 665.7 |
Molecular Formula: | C32H31N3O11S |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 13 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 47 |
Complexity: | 1040 |
Synonyms
t-1032
| t-1032 | t-1032 |
|---|---|
t-1032 |
CHEMBL77971 |
UNII-H68FTS7316 |
H68FTS7316 |
212500-03-3 |
methyl 2-(4-aminophenyl)-1-oxo-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate;sulfuric acid |
SCHEMBL1148164 |
NCGC00094482-01 |
EU-0101241 |
T 1032 |
T 7692 |
SR-01000076176 |
SR-01000076176-1 |
Q27279696 |
3-Isoquinolinecarboxylic acid, 2-(4-aminophenyl)-1,2-dihydro-1-oxo-7-(2-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-, methyl ester, sulfate (1:1) |
Methyl (2-(4-aminophenyl)-1,2-dihydro-1-oxo-7-(2-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinoline carboxylate sulfate |
Experimental Data
t-1032
| 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
t-1032
Statistics Data
t-1032
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 3.000000000000000 | 1 | 1 |
Statistics Data Visualization
t-1032
