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ID: ALA1723660
Max Phase: Preclinical
Molecular Formula: C15H10Cl2FNO3
Molecular Weight: 342.15
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(NC(=O)c1ccccc1F)OCc1ccc(Cl)cc1Cl
Standard InChI: InChI=1S/C15H10Cl2FNO3/c16-10-6-5-9(12(17)7-10)8-22-15(21)19-14(20)11-3-1-2-4-13(11)18/h1-7H,8H2,(H,19,20,21)
Standard InChI Key: BOVHEHORTGZFRG-UHFFFAOYSA-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: 342.15 | Molecular Weight (Monoisotopic): 341.0022 | AlogP: 4.20 | #Rotatable Bonds: 3 |
| Polar Surface Area: 55.40 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.95 | CX Basic pKa: | CX LogP: 4.51 | CX LogD: 3.16 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.91 | Np Likeness Score: -1.80 |
References
| 1. PubChem BioAssay data set, |
