ID: ALA2435796
Chembl Id: CHEMBL2435796
PubChem CID: 73349418
Max Phase: Preclinical
Molecular Formula: C19H16N2O2
Molecular Weight: 304.35
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: COc1cc(/N=C/C=C/c2ccccc2)ccc1-c1cnco1
Standard InChI: InChI=1S/C19H16N2O2/c1-22-18-12-16(9-10-17(18)19-13-20-14-23-19)21-11-5-8-15-6-3-2-4-7-15/h2-14H,1H3/b8-5+,21-11+
Standard InChI Key: BJAVBLNSIDJMPU-JPDQMXGXSA-N
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 304.35 | Molecular Weight (Monoisotopic): 304.1212 | AlogP: 4.77 | #Rotatable Bonds: 5 |
| Polar Surface Area: 47.62 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.76 | CX LogP: 3.49 | CX LogD: 3.48 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.64 | Np Likeness Score: -0.46 |
| 1. Zhong ZJ, Zhang DJ, Peng ZG, Li YH, Shan GZ, Zuo LM, Wu LT, Li SY, Gao RM, Li ZR.. (2013) Synthesis and antiviral activity of a novel class of (5-oxazolyl)phenyl amines., 69 [PMID:23999140] [10.1016/j.ejmech.2013.07.053] |
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