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2-(4-Chloro-2,3-dihydro-benzofuran-2-yl)-4,5-dihydro-1H-imidazole hydrochloride ID: ALA543463
Chembl Id: CHEMBL543463
PubChem CID: 45262582
Max Phase: Preclinical
Molecular Formula: C11H12Cl2N2O
Molecular Weight: 222.68
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cl.Clc1cccc2c1CC(C1=NCCN1)O2
Standard InChI: InChI=1S/C11H11ClN2O.ClH/c12-8-2-1-3-9-7(8)6-10(15-9)11-13-4-5-14-11;/h1-3,10H,4-6H2,(H,13,14);1H
Standard InChI Key: IYLRVMMAEVDXJC-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: 222.68Molecular Weight (Monoisotopic): 222.0560AlogP: 1.65#Rotatable Bonds: 1Polar Surface Area: 33.62Molecular Species: BASEHBA: 3HBD: 1#RO5 Violations: ┄HBA (Lipinski): 3HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 9.10CX LogP: 1.74CX LogD: 0.11Aromatic Rings: 1Heavy Atoms: 15QED Weighted: 0.78Np Likeness Score: 0.07
References 1. Chapleo CB, Myers PL, Butler RC, Davis JA, Doxey JC, Higgins SD, Myers M, Roach AG, Smith CF, Stillings MR.. (1984) Alpha-adrenoreceptor reagents. 2. Effects of modification of the 1,4-benzodioxan ring system on alpha-adrenoreceptor activity., 27 (5): [PMID:6143826 ] [10.1021/jm00371a003 ]