The store will not work correctly when cookies are disabled.
ID: ALA3212860
Max Phase: Preclinical
Molecular Formula: C15H18N2O
Molecular Weight: 242.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCOc1ccc(/N=C/c2ccc[nH]2)cc1
Standard InChI: InChI=1S/C15H18N2O/c1-2-3-11-18-15-8-6-13(7-9-15)17-12-14-5-4-10-16-14/h4-10,12,16H,2-3,11H2,1H3/b17-12+
Standard InChI Key: YBETVXPHSLSWEM-SFQUDFHCSA-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: 242.32 | Molecular Weight (Monoisotopic): 242.1419 | AlogP: 3.94 | #Rotatable Bonds: 6 |
| Polar Surface Area: 37.38 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.94 | CX LogP: 4.01 | CX LogD: 4.01 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.60 | Np Likeness Score: -1.00 |
References
| 1. PubChem BioAssay data set, |
