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ID: ALA2334461
Max Phase: Preclinical
Molecular Formula: C17H13NO2
Molecular Weight: 263.30
Molecule Type: Small molecule
Associated Items:
ID: ALA2334461
Max Phase: Preclinical
Molecular Formula: C17H13NO2
Molecular Weight: 263.30
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C1C=C(NCc2ccccc2)C(=O)c2ccccc21
Standard InChI: InChI=1S/C17H13NO2/c19-16-10-15(18-11-12-6-2-1-3-7-12)17(20)14-9-5-4-8-13(14)16/h1-10,18H,11H2
Standard InChI Key: DCPOAJXJBIMQSU-UHFFFAOYSA-N
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Natural Product: Yes | 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: 263.30 | Molecular Weight (Monoisotopic): 263.0946 | AlogP: 2.74 | #Rotatable Bonds: 3 |
Polar Surface Area: 46.17 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
#RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.50 | CX LogD: 2.50 |
Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.93 | Np Likeness Score: 0.33 |
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