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.
SID49669494 ID: ALA1487099
Chembl Id: CHEMBL1487099
PubChem CID: 6351925
Max Phase: Preclinical
Molecular Formula: C24H32N2O4
Molecular Weight: 412.53
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCN(CC)c1ccc2c(cc1=O)[C@@H](NC)CCc1cc(OC)c(OC)c(OC)c1-2
Standard InChI: InChI=1S/C24H32N2O4/c1-7-26(8-2)19-12-10-16-17(14-20(19)27)18(25-3)11-9-15-13-21(28-4)23(29-5)24(30-6)22(15)16/h10,12-14,18,25H,7-9,11H2,1-6H3/t18-/m0/s1
Standard InChI Key: KHZZMTAJRIDFIB-SFHVURJKSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: YesOral: 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: 412.53Molecular Weight (Monoisotopic): 412.2362AlogP: 3.79#Rotatable Bonds: 7Polar Surface Area: 60.03Molecular Species: BASEHBA: 6HBD: 1#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 9.70CX LogP: 2.85CX LogD: 0.60Aromatic Rings: 2Heavy Atoms: 30QED Weighted: 0.75Np Likeness Score: 0.53
References 1. PubChem BioAssay data set, 2. PubChem BioAssay data set,
