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ID: ALA1422086
Max Phase: Preclinical
Molecular Formula: C16H10Cl2N2O2
Molecular Weight: 333.17
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1
Standard InChI: InChI=1S/C16H10Cl2N2O2/c17-11-6-4-10(5-7-11)15-9-14(16(21)22)19-20(15)13-3-1-2-12(18)8-13/h1-9H,(H,21,22)
Standard InChI Key: IBEFCIYOSYCESW-UHFFFAOYSA-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: 333.17 | Molecular Weight (Monoisotopic): 332.0119 | AlogP: 4.54 | #Rotatable Bonds: 3 |
| Polar Surface Area: 55.12 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.16 | CX Basic pKa: | CX LogP: 4.88 | CX LogD: 1.42 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.77 | Np Likeness Score: -1.51 |
References
| 1. PubChem BioAssay data set, |
