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.
ID: ALA2135194
Max Phase: Preclinical
Molecular Formula: C24H30N2O
Molecular Weight: 362.52
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: CCCCN(C(C)=O)c1ccc2c(c1)C1CC2CCN1Cc1ccccc1
Standard InChI: InChI=1S/C24H30N2O/c1-3-4-13-26(18(2)27)21-10-11-22-20-12-14-25(24(15-20)23(22)16-21)17-19-8-6-5-7-9-19/h5-11,16,20,24H,3-4,12-15,17H2,1-2H3
Standard InChI Key: VUVVUBCWFOOBRD-UHFFFAOYSA-N
Associated Targets(Human) 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: 362.52Molecular Weight (Monoisotopic): 362.2358AlogP: 5.27#Rotatable Bonds: 6Polar Surface Area: 23.55Molecular Species: NEUTRALHBA: 2HBD: 0#RO5 Violations: 1HBA (Lipinski): 3HBD (Lipinski): 0#RO5 Violations (Lipinski): 1CX Acidic pKa: CX Basic pKa: 8.34CX LogP: 4.42CX LogD: 3.44Aromatic Rings: 2Heavy Atoms: 27QED Weighted: 0.70Np Likeness Score: -0.64
References 1. PubChem BioAssay data set,
