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7-fluoro-9-oxo-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile ID: ALA5281075
Chembl Id: CHEMBL5281075
Max Phase: Preclinical
Molecular Formula: C13H3FN4O
Molecular Weight: 250.19
Associated Items:
Names and Identifiers Canonical SMILES: N#Cc1nc2c(nc1C#N)-c1ccc(F)cc1C2=O
Standard InChI: InChI=1S/C13H3FN4O/c14-6-1-2-7-8(3-6)13(19)12-11(7)17-9(4-15)10(5-16)18-12/h1-3H
Standard InChI Key: MLVYMHCKGZRDFG-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: 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
Calculated Properties Molecular Weight: 250.19Molecular Weight (Monoisotopic): 250.0291AlogP: 1.57#Rotatable Bonds: ┄Polar Surface Area: 90.43Molecular Species: ┄HBA: 5HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: 2.07CX LogD: 2.07Aromatic Rings: 2Heavy Atoms: 19QED Weighted: 0.60Np Likeness Score: -0.88