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Decanoic acid [(1R,2R)-2-hydroxy-2-(4-methoxy-phenyl)-1-morpholin-4-ylmethyl-ethyl]-amide ID: ALA287088
Chembl Id: CHEMBL287088
PubChem CID: 44283470
Max Phase: Preclinical
Molecular Formula: C24H40N2O4
Molecular Weight: 420.59
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@H](O)c1ccc(OC)cc1
Standard InChI: InChI=1S/C24H40N2O4/c1-3-4-5-6-7-8-9-10-23(27)25-22(19-26-15-17-30-18-16-26)24(28)20-11-13-21(29-2)14-12-20/h11-14,22,24,28H,3-10,15-19H2,1-2H3,(H,25,27)/t22-,24-/m1/s1
Standard InChI Key: RAJMPAPFLXBCOD-ISKFKSNPSA-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: 420.59Molecular Weight (Monoisotopic): 420.2988AlogP: 3.69#Rotatable Bonds: 14Polar Surface Area: 71.03Molecular Species: NEUTRALHBA: 5HBD: 2#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 13.58CX Basic pKa: 5.98CX LogP: 3.80CX LogD: 3.79Aromatic Rings: 1Heavy Atoms: 30QED Weighted: 0.45Np Likeness Score: -0.33
References 1. Slavish JP, Friel DK, Oland LA, Polt R.. (2004) New PDMP analogues inhibit process outgrowth in an insect cell line., 14 (6): [PMID:15006387 ] [10.1016/j.bmcl.2004.01.013 ]