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ID: ALA1735946
Max Phase: Preclinical
Molecular Formula: C20H25F2N3O
Molecular Weight: 361.44
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: Fc1ccc(-c2[nH]ncc2CN(CC2CCC2)CC2CCCO2)c(F)c1
Standard InChI: InChI=1S/C20H25F2N3O/c21-16-6-7-18(19(22)9-16)20-15(10-23-24-20)12-25(11-14-3-1-4-14)13-17-5-2-8-26-17/h6-7,9-10,14,17H,1-5,8,11-13H2,(H,23,24)
Standard InChI Key: BWFHIEAKPHCOAC-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: 361.44Molecular Weight (Monoisotopic): 361.1966AlogP: 4.14#Rotatable Bonds: 7Polar Surface Area: 41.15Molecular Species: BASEHBA: 3HBD: 1#RO5 Violations: 0HBA (Lipinski): 4HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: 10.37CX Basic pKa: 8.84CX LogP: 3.53CX LogD: 2.25Aromatic Rings: 2Heavy Atoms: 26QED Weighted: 0.81Np Likeness Score: -1.49
References 1. PubChem BioAssay data set,
