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ID: ALA1817798
Max Phase: Preclinical
Molecular Formula: C14H11FO3
Molecular Weight: 246.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Oc1cccc(/C=C/c2cc(O)c(F)c(O)c2)c1
Standard InChI: InChI=1S/C14H11FO3/c15-14-12(17)7-10(8-13(14)18)5-4-9-2-1-3-11(16)6-9/h1-8,16-18H/b5-4+
Standard InChI Key: JFJPGQJVTRZAAU-SNAWJCMRSA-N
Associated Targets(non-human)
Brevibacillus brevis 46 Activities
Bacillus subtilis 32866 Activities
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Enterobacter cloacae subsp. dissolvens 32 Activities
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Micrococcus luteus 7463 Activities
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NIH3T3 5395 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: 246.24 | Molecular Weight (Monoisotopic): 246.0692 | AlogP: 3.11 | #Rotatable Bonds: 2 |
| Polar Surface Area: 60.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.63 | CX Basic pKa: | CX LogP: 3.55 | CX LogD: 3.34 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.71 | Np Likeness Score: 0.28 |
References
| 1. Albert S, Horbach R, Deising HB, Siewert B, Csuk R.. (2011) Synthesis and antimicrobial activity of (E) stilbene derivatives., 19 (17): [PMID:21803587] [10.1016/j.bmc.2011.07.015] |
Source
Source(1):