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ID: ALA1906369
Max Phase: Preclinical
Molecular Formula: C14H11BF3KO2
Molecular Weight: 279.05
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=Cc1cc(OCc2ccccc2)ccc1[B-](F)(F)F.[K+]
Standard InChI: InChI=1S/C14H11BF3O2.K/c16-15(17,18)14-7-6-13(8-12(14)9-19)20-10-11-4-2-1-3-5-11;/h1-9H,10H2;/q-1;+1
Standard InChI Key: CCIFWQLVNQLNHB-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 |
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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: 279.05 | Molecular Weight (Monoisotopic): 279.0810 | AlogP: | #Rotatable Bonds: |
Polar Surface Area: | Molecular Species: | HBA: | HBD: |
#RO5 Violations: | HBA (Lipinski): | HBD (Lipinski): | #RO5 Violations (Lipinski): |
CX Acidic pKa: | CX Basic pKa: | CX LogP: | CX LogD: |
Aromatic Rings: | Heavy Atoms: | QED Weighted: | Np Likeness Score: |
References
1. PubChem BioAssay data set, |