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ID: ALA2270733
Max Phase: Preclinical
Molecular Formula: C16H15ClN2
Molecular Weight: 270.76
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: Cc1cc2ncn(Cc3cccc(Cl)c3)c2cc1C
Standard InChI: InChI=1S/C16H15ClN2/c1-11-6-15-16(7-12(11)2)19(10-18-15)9-13-4-3-5-14(17)8-13/h3-8,10H,9H2,1-2H3
Standard InChI Key: JVUNQCQURGBZTF-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
Properties Molecular Weight: 270.76Molecular Weight (Monoisotopic): 270.0924AlogP: 4.35#Rotatable Bonds: 2Polar Surface Area: 17.82Molecular Species: NEUTRALHBA: 2HBD: 0#RO5 Violations: 0HBA (Lipinski): 2HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 5.93CX LogP: 4.84CX LogD: 4.83Aromatic Rings: 3Heavy Atoms: 19QED Weighted: 0.68Np Likeness Score: -1.89
References 1. Vlaovic D, Canadanovic-Brunet J, Balaz J, Juranic I, Djokovic D, Mackenzie K. (1992) Synthesis, AntiBacteriol, and Antifungal Activities of Some New Benzimidazoles, 56 (2): [10.1271/bbb.56.199 ]
