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2-(2-acetamidophenyl)-N-benzyl-alpha,alpha-difluoroacetamide ID: ALA4530523
Chembl Id: CHEMBL4530523
PubChem CID: 15461841
Max Phase: Preclinical
Molecular Formula: C17H16F2N2O2
Molecular Weight: 318.32
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1ccccc1
Standard InChI: InChI=1S/C17H16F2N2O2/c1-12(22)21-15-10-6-5-9-14(15)17(18,19)16(23)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
Standard InChI Key: AFUJSNIMOHUEMN-UHFFFAOYSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: 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: 318.32Molecular Weight (Monoisotopic): 318.1180AlogP: 3.05#Rotatable Bonds: 5Polar Surface Area: 58.20Molecular Species: NEUTRALHBA: 2HBD: 2#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 9.58CX Basic pKa: ┄CX LogP: 2.76CX LogD: 2.76Aromatic Rings: 2Heavy Atoms: 23QED Weighted: 0.89Np Likeness Score: -1.17
References 1. Crizanto de Lima E, Castelo-Branco FS, Maquiaveli CC, Farias AB, Rennó MN, Boechat N, Silva ER.. (2019) Phenylhydrazides as inhibitors of Leishmania amazonensis arginase and antileishmanial activity., 27 (17): [PMID:31311700 ] [10.1016/j.bmc.2019.07.022 ]