The store will not work correctly when cookies are disabled.
ID: ALA2000735
Max Phase: Preclinical
Molecular Formula: C7H6Cl2N2O
Molecular Weight: 205.04
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC1=CC(=NCl)C=CC1=NCl
Standard InChI: InChI=1S/C7H6Cl2N2O/c1-12-7-4-5(10-8)2-3-6(7)11-9/h2-4H,1H3
Standard InChI Key: SWPHLJNFOOCNJH-UHFFFAOYSA-N
Associated Targets(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: 205.04 | Molecular Weight (Monoisotopic): 203.9857 | AlogP: 2.28 | #Rotatable Bonds: 1 |
| Polar Surface Area: 33.95 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.05 | CX LogP: 2.17 | CX LogD: 2.17 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.60 | Np Likeness Score: 0.34 |
References
| 1. PubChem BioAssay data set, |
