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ID: ALA3214348
Max Phase: Preclinical
Molecular Formula: C19H16N2O2
Molecular Weight: 304.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Oc1ccc(O)c(/C(=N/Nc2ccccc2)c2ccccc2)c1
Standard InChI: InChI=1S/C19H16N2O2/c22-16-11-12-18(23)17(13-16)19(14-7-3-1-4-8-14)21-20-15-9-5-2-6-10-15/h1-13,20,22-23H/b21-19+
Standard InChI Key: NJPPCOOYWVRVAN-XUTLUUPISA-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: 304.35 | Molecular Weight (Monoisotopic): 304.1212 | AlogP: 3.96 | #Rotatable Bonds: 4 |
| Polar Surface Area: 64.85 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.00 | CX Basic pKa: 4.42 | CX LogP: 4.94 | CX LogD: 4.93 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.39 | Np Likeness Score: -0.24 |
References
| 1. PubChem BioAssay data set, |
