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SID24816358
ID: ALA1521214
Chembl Id: CHEMBL1521214
Cas Number: 67720-41-6
PubChem CID: 6379633
Max Phase: Preclinical
Molecular Formula: C17H14N2O
Molecular Weight: 262.31
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: N#C/C(=C/c1ccccc1)C(=O)NCc1ccccc1
Standard InChI: InChI=1S/C17H14N2O/c18-12-16(11-14-7-3-1-4-8-14)17(20)19-13-15-9-5-2-6-10-15/h1-11H,13H2,(H,19,20)/b16-11-
Standard InChI Key: GUURNUUYOORXRM-WJDWOHSUSA-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: 262.31 | Molecular Weight (Monoisotopic): 262.1106 | AlogP: 2.91 | #Rotatable Bonds: 4 |
| 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: 13.48 | CX Basic pKa: ┄ | CX LogP: 3.09 | CX LogD: 3.09 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.68 | Np Likeness Score: -1.05 |
References
| 1. PubChem BioAssay data set, |
