The store will not work correctly when cookies are disabled.
SID49823773
ID: ALA1302539
Chembl Id: CHEMBL1302539
PubChem CID: 8279977
Max Phase: Preclinical
Molecular Formula: C13H10ClFN2O
Molecular Weight: 264.69
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: N#C/C(=C\c1c(F)cccc1Cl)C(=O)NC1CC1
Standard InChI: InChI=1S/C13H10ClFN2O/c14-11-2-1-3-12(15)10(11)6-8(7-16)13(18)17-9-4-5-9/h1-3,6,9H,4-5H2,(H,17,18)/b8-6+
Standard InChI Key: ZTUGZNLJZPKVEG-SOFGYWHQSA-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 |
|---|
Calculated Properties
| Molecular Weight: 264.69 | Molecular Weight (Monoisotopic): 264.0466 | AlogP: 2.66 | #Rotatable Bonds: 3 |
| Polar Surface Area: 52.89 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 13.18 | CX Basic pKa: ┄ | CX LogP: 2.58 | CX LogD: 2.58 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.67 | Np Likeness Score: -1.97 |
References
| 1. PubChem BioAssay data set, |
