The store will not work correctly when cookies are disabled.
ID: ALA3214409
Max Phase: Preclinical
Molecular Formula: C14H10ClF3N2O2
Molecular Weight: 330.69
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(/C(=N\O)c2ncc(C(F)(F)F)cc2Cl)cc1
Standard InChI: InChI=1S/C14H10ClF3N2O2/c1-22-10-4-2-8(3-5-10)12(20-21)13-11(15)6-9(7-19-13)14(16,17)18/h2-7,21H,1H3/b20-12+
Standard InChI Key: LXICDQJULNKEHC-UDWIEESQSA-N
Associated Targets(Human)
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: 330.69 | Molecular Weight (Monoisotopic): 330.0383 | AlogP: 3.99 | #Rotatable Bonds: 3 |
| Polar Surface Area: 54.71 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.39 | CX Basic pKa: 0.07 | CX LogP: 3.93 | CX LogD: 3.63 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.53 | Np Likeness Score: -1.16 |
References
| 1. PubChem BioAssay data set, |
