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ID: ALA3936595
Max Phase: Preclinical
Molecular Formula: C20H23N3O3
Molecular Weight: 353.42
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: O=C(CN1CCO[C@H](COc2cccnc2)C1)N1CCc2ccccc21
Standard InChI: InChI=1S/C20H23N3O3/c24-20(23-9-7-16-4-1-2-6-19(16)23)14-22-10-11-25-18(13-22)15-26-17-5-3-8-21-12-17/h1-6,8,12,18H,7,9-11,13-15H2/t18-/m0/s1
Standard InChI Key: XYHRHHHLNLGIRG-SFHVURJKSA-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: 353.42Molecular Weight (Monoisotopic): 353.1739AlogP: 1.75#Rotatable Bonds: 5Polar Surface Area: 54.90Molecular Species: NEUTRALHBA: 5HBD: 0#RO5 Violations: 0HBA (Lipinski): 6HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 5.29CX LogP: 1.27CX LogD: 1.27Aromatic Rings: 2Heavy Atoms: 26QED Weighted: 0.82Np Likeness Score: -1.62
References 1. (2015) Morpholino compounds, uses and methods,
