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ID: ALA2138017
Max Phase: Preclinical
Molecular Formula: C25H24FN3O3
Molecular Weight: 433.48
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: CCCCCNC(=O)C(c1ccccc1F)n1c(=O)c(-c2ccco2)nc2ccccc21
Standard InChI: InChI=1S/C25H24FN3O3/c1-2-3-8-15-27-24(30)23(17-10-4-5-11-18(17)26)29-20-13-7-6-12-19(20)28-22(25(29)31)21-14-9-16-32-21/h4-7,9-14,16,23H,2-3,8,15H2,1H3,(H,27,30)
Standard InChI Key: LJYHCNLGGYSLIW-UHFFFAOYSA-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: 433.48Molecular Weight (Monoisotopic): 433.1802AlogP: 4.69#Rotatable Bonds: 8Polar Surface Area: 77.13Molecular Species: NEUTRALHBA: 5HBD: 1#RO5 Violations: 0HBA (Lipinski): 6HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: CX LogP: 4.55CX LogD: 4.55Aromatic Rings: 4Heavy Atoms: 32QED Weighted: 0.41Np Likeness Score: -1.28
References 1. PubChem BioAssay data set,
