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ID: ALA3209335
Max Phase: Preclinical
Molecular Formula: C20H16Cl2N2O2
Molecular Weight: 387.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(Oc2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cn2)cc1
Standard InChI: InChI=1S/C20H16Cl2N2O2/c1-14-2-7-18(8-3-14)26-20-9-4-15(11-23-20)12-24-25-13-16-5-6-17(21)10-19(16)22/h2-12H,13H2,1H3/b24-12+
Standard InChI Key: ORYJJKCPPWZKKY-WYMPLXKRSA-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 |
|---|
Properties
| Molecular Weight: 387.27 | Molecular Weight (Monoisotopic): 386.0589 | AlogP: 6.04 | #Rotatable Bonds: 6 |
| Polar Surface Area: 43.71 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 1.12 | CX LogP: 6.40 | CX LogD: 6.40 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.38 | Np Likeness Score: -1.71 |
References
| 1. PubChem BioAssay data set, |
