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ID: ALA3986651
Max Phase: Preclinical
Molecular Formula: C22H28N2O3
Molecular Weight: 368.48
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1
Standard InChI: InChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1
Standard InChI Key: ROKNCKQMECSPFV-NRFANRHFSA-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: 368.48Molecular Weight (Monoisotopic): 368.2100AlogP: 2.84#Rotatable Bonds: 7Polar Surface Area: 34.17Molecular Species: NEUTRALHBA: 5HBD: 0#RO5 Violations: 0HBA (Lipinski): 5HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 6.91CX LogP: 3.47CX LogD: 3.35Aromatic Rings: 2Heavy Atoms: 27QED Weighted: 0.75Np Likeness Score: -1.12
References 1. (2015) Morpholino compounds, uses and methods,
