Compound Summary
Compound Information
Xli 093 hydrate
Compound Name: | Xli 093 hydrate |
Compound CID: | 131701296 |
Synonyms: | Xli 093 hydrate More... |
Iupac Name: | 8-ethynyl-1-[3-(8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl]-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;hydrate |
InChI: | InChI=1S/C33H26N6O6.H2O/c1-5-19-9-11-23-21(14-19)30(40)36(3)16-25-29(34-18-38(23)25)33(44)45-13-7-8-27-35-28(32(42)43)26-17-37(4)31(41)22-15-20(6-2)10-12-24(22)39(26)27;/h1-2,9-12,14-15,18H,7-8,13,16-17H2,3-4H3,(H,42,43);1H2 |
InChIKey: | KUMHWHIRRWDPPA-UHFFFAOYSA-N |
Canonical Smiles: | CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)C#C)C(=O)OCCCC4=NC(=C5N4C6=C(C=C(C=C6)C#C)C(=O)N(C5)C)C(=O)O.O |
Isomeric Smiles: | CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)C#C)C(=O)OCCCC4=NC(=C5N4C6=C(C=C(C=C6)C#C)C(=O)N(C5)C)C(=O)O.O |
Molecular Weight: | 620.6 |
Molecular Formula: | C33H28N6O7 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Xli 093 hydrate
Molecular Weight: | 620.6 |
Molecular Formula: | C33H28N6O7 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 9 |
Rotatable Bond Count: | 9 |
Heavy Atom Count: | 46 |
Complexity: | 1300 |
Synonyms
Xli 093 hydrate
| Xli 093 hydrate | Xli 093 hydrate |
|---|---|
Xli 093 hydrate |
Experimental Data
Xli 093 hydrate
| 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 | 6 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Xli 093 hydrate
Statistics Data
Xli 093 hydrate
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 6 | 1 | 1 |
Statistics Data Visualization
Xli 093 hydrate
