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.
N-(2-cyclohexenylethyl)-3-oxododecanamide ID: ALA1812110
Chembl Id: CHEMBL1812110
PubChem CID: 56669533
Max Phase: Preclinical
Molecular Formula: C20H35NO2
Molecular Weight: 321.51
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCCCCCCCCC(=O)CC(=O)NCCC1=CCCCC1
Standard InChI: InChI=1S/C20H35NO2/c1-2-3-4-5-6-7-11-14-19(22)17-20(23)21-16-15-18-12-9-8-10-13-18/h12H,2-11,13-17H2,1H3,(H,21,23)
Standard InChI Key: MYRVKPBJEYBDMJ-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: 321.51Molecular Weight (Monoisotopic): 321.2668AlogP: 5.09#Rotatable Bonds: 13Polar Surface Area: 46.17Molecular Species: NEUTRALHBA: 2HBD: 1#RO5 Violations: 1HBA (Lipinski): 3HBD (Lipinski): 1#RO5 Violations (Lipinski): 1CX Acidic pKa: 10.62CX Basic pKa: ┄CX LogP: 5.30CX LogD: 5.30Aromatic Rings: ┄Heavy Atoms: 23QED Weighted: 0.29Np Likeness Score: 0.10
References 1. McInnis CE, Blackwell HE.. (2011) Design, synthesis, and biological evaluation of abiotic, non-lactone modulators of LuxR-type quorum sensing., 19 (16): [PMID:21798749 ] [10.1016/j.bmc.2011.06.072 ]