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ID: ALA1728120
Max Phase: Preclinical
Molecular Formula: C24H24FN3O2
Molecular Weight: 405.47
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: CCn1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)N2CCCC2)c2ccccc21
Standard InChI: InChI=1S/C24H24FN3O2/c1-2-27-16-17(18-9-4-6-12-22(18)27)15-21(24(30)28-13-7-8-14-28)26-23(29)19-10-3-5-11-20(19)25/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3,(H,26,29)/b21-15-
Standard InChI Key: FVRUTMHAPAOYCV-QNGOZBTKSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: 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
Properties Molecular Weight: 405.47Molecular Weight (Monoisotopic): 405.1853AlogP: 4.19#Rotatable Bonds: 5Polar Surface Area: 54.34Molecular Species: NEUTRALHBA: 3HBD: 1#RO5 Violations: 0HBA (Lipinski): 5HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: 10.13CX Basic pKa: CX LogP: 3.52CX LogD: 3.52Aromatic Rings: 3Heavy Atoms: 30QED Weighted: 0.65Np Likeness Score: -1.77
References 1. PubChem BioAssay data set,
