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.
4-(2-fluorobenzyloxy)benzimidamide hydrochloride ID: ALA2286485
Chembl Id: CHEMBL2286485
PubChem CID: 42656905
Max Phase: Preclinical
Molecular Formula: C14H14ClFN2O
Molecular Weight: 244.27
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cl.N=C(N)c1ccc(OCc2ccccc2F)cc1
Standard InChI: InChI=1S/C14H13FN2O.ClH/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17;/h1-8H,9H2,(H3,16,17);1H
Standard InChI Key: FDUJXXKOPQWXSN-UHFFFAOYSA-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: 244.27Molecular Weight (Monoisotopic): 244.1012AlogP: 2.69#Rotatable Bonds: 4Polar Surface Area: 59.10Molecular Species: BASEHBA: 2HBD: 2#RO5 Violations: ┄HBA (Lipinski): 3HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 11.81CX LogP: 2.60CX LogD: 0.19Aromatic Rings: 2Heavy Atoms: 18QED Weighted: 0.64Np Likeness Score: -1.09
References 1. Wang BL, Li YH, Wang JG, Ma Y, Li ZM. (2008) Molecular design, synthesis and biological activities of amidines as new ketol-acid reductoisomerase inhibitors, 19 (6): [10.1016/j.cclet.2008.04.009 ]