The store will not work correctly when cookies are disabled.
ID: ALA1871426
Max Phase: Preclinical
Molecular Formula: C19H18N2O
Molecular Weight: 290.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)c1ccc(/C=C/c2ccc3ccccc3[n+]2[O-])cc1
Standard InChI: InChI=1S/C19H18N2O/c1-20(2)17-11-7-15(8-12-17)9-13-18-14-10-16-5-3-4-6-19(16)21(18)22/h3-14H,1-2H3/b13-9+
Standard InChI Key: LDOFSSMCDIOIDY-UKTHLTGXSA-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: 290.37 | Molecular Weight (Monoisotopic): 290.1419 | AlogP: 3.71 | #Rotatable Bonds: 3 |
| Polar Surface Area: 30.18 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.71 | CX LogP: 1.98 | CX LogD: 1.99 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.54 | Np Likeness Score: -0.46 |
References
| 1. PubChem BioAssay data set, |
