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ID: ALA3210665
Max Phase: Preclinical
Molecular Formula: C14H12ClNO4
Molecular Weight: 293.71
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(Cl)cc1/N=C/c1c(O)cc(C)oc1=O
Standard InChI: InChI=1S/C14H12ClNO4/c1-8-5-12(17)10(14(18)20-8)7-16-11-6-9(15)3-4-13(11)19-2/h3-7,17H,1-2H3/b16-7+
Standard InChI Key: QAXGJQKXSXFJJH-FRKPEAEDSA-N
Associated Targets(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: 293.71 | Molecular Weight (Monoisotopic): 293.0455 | AlogP: 3.07 | #Rotatable Bonds: 3 |
| Polar Surface Area: 72.03 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.75 | CX Basic pKa: | CX LogP: 2.59 | CX LogD: 1.85 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.88 | Np Likeness Score: -0.53 |
References
| 1. PubChem BioAssay data set, |
