The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
N-[(E)-2-Bromo-2-(2-fluoro-phenyl)-1-(piperidine-1-carbonyl)-vinyl]-benzamide ID: ALA316354
Chembl Id: CHEMBL316354
PubChem CID: 3002792
Max Phase: Preclinical
Molecular Formula: C21H20BrFN2O2
Molecular Weight: 431.31
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=C(N/C(C(=O)N1CCCCC1)=C(/Br)c1ccccc1F)c1ccccc1
Standard InChI: InChI=1S/C21H20BrFN2O2/c22-18(16-11-5-6-12-17(16)23)19(21(27)25-13-7-2-8-14-25)24-20(26)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2,(H,24,26)/b19-18+
Standard InChI Key: MFBAZZXJTSPYDP-VHEBQXMUSA-N
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
Calculated Properties Molecular Weight: 431.31Molecular Weight (Monoisotopic): 430.0692AlogP: 4.33#Rotatable Bonds: 4Polar Surface Area: 49.41Molecular Species: NEUTRALHBA: 2HBD: 1#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 13.14CX Basic pKa: ┄CX LogP: 3.61CX LogD: 3.61Aromatic Rings: 2Heavy Atoms: 27QED Weighted: 0.73Np Likeness Score: -1.24
References 1. Perni RB, Conway SC, Ladner SK, Zaifert K, Otto MJ, King RW.. (2000) Phenylpropenamide derivatives as inhibitors of hepatitis B virus replication., 10 (23): [PMID:11128652 ] [10.1016/s0960-894x(00)00544-8 ]