| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2230060
Max Phase: Preclinical
Molecular Formula: C20H18Cl4N2
Molecular Weight: 428.19
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Clc1ccc(/C=N/C2CCCCC2/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1
Standard InChI: InChI=1S/C20H18Cl4N2/c21-15-7-5-13(17(23)9-15)11-25-19-3-1-2-4-20(19)26-12-14-6-8-16(22)10-18(14)24/h5-12,19-20H,1-4H2/b25-11+,26-12+
Standard InChI Key: LSYMNPLSWCWFAX-KOZSXFMUSA-N
Associated Targets(non-human)
Macrophomina phaseolina 474 Activities
Athelia rolfsii 768 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 428.19 | Molecular Weight (Monoisotopic): 426.0224 | AlogP: 7.15 | #Rotatable Bonds: 4 |
| Polar Surface Area: 24.72 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 4.38 | CX LogP: 7.50 | CX LogD: 7.50 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.46 | Np Likeness Score: -0.56 |
References
| 1. Aggarwal N, Kumar R, Dureja P, Rawat DS.. (2009) Schiff bases as potential fungicides and nitrification inhibitors., 57 (18): [PMID:19702271] [10.1021/jf902035w] |
Source
Source(1):