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ID: ALA274961
Max Phase: Preclinical
Molecular Formula: C14H13NO2
Molecular Weight: 227.26
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(C(=O)Nc2ccc(O)cc2)cc1
Standard InChI: InChI=1S/C14H13NO2/c1-10-2-4-11(5-3-10)14(17)15-12-6-8-13(16)9-7-12/h2-9,16H,1H3,(H,15,17)
Standard InChI Key: GOMRVZGCGJBGPN-UHFFFAOYSA-N
Associated Targets(non-human)
Bacillus subtilis 32866 Activities
Staphylococcus aureus 210822 Activities
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Escherichia coli 133304 Activities
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Aspergillus ficuum 42 Activities
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Aspergillus parasiticus 296 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 227.26 | Molecular Weight (Monoisotopic): 227.0946 | AlogP: 2.95 | #Rotatable Bonds: 2 |
| Polar Surface Area: 49.33 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.44 | CX Basic pKa: | CX LogP: 3.27 | CX LogD: 3.27 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.77 | Np Likeness Score: -0.99 |
References
| 1. Kumar A, Narasimhan B, Kumar D.. (2007) Synthesis, antimicrobial, and QSAR studies of substituted benzamides., 15 (12): [PMID:17428669] [10.1016/j.bmc.2007.03.074] |
Source
Source(1):