The store will not work correctly when cookies are disabled.
ID: ALA3275226
Max Phase: Preclinical
Molecular Formula: C4H2N4O2
Molecular Weight: 138.09
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: [N-]=[N+]=C1C=NC(=O)NC1=O
Standard InChI: InChI=1S/C4H2N4O2/c5-8-2-1-6-4(10)7-3(2)9/h1H,(H,7,9,10)
Standard InChI Key: VEOLNAAQJHGJPM-UHFFFAOYSA-N
Associated Targets(non-human)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 138.09 | Molecular Weight (Monoisotopic): 138.0178 | AlogP: -1.02 | #Rotatable Bonds: 0 |
| Polar Surface Area: 94.93 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.38 | CX Basic pKa: | CX LogP: -1.93 | CX LogD: -3.60 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.34 | Np Likeness Score: 0.54 |
