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Ethyl 6-(3-(4-methoxyphenyl)chroman-7-yloxy)hexanoate ID: ALA4218584
Chembl Id: CHEMBL4218584
PubChem CID: 145967788
Max Phase: Preclinical
Molecular Formula: C24H30O5
Molecular Weight: 398.50
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCOC(=O)CCCCCOc1ccc2c(c1)OCC(c1ccc(OC)cc1)C2
Standard InChI: InChI=1S/C24H30O5/c1-3-27-24(25)7-5-4-6-14-28-22-13-10-19-15-20(17-29-23(19)16-22)18-8-11-21(26-2)12-9-18/h8-13,16,20H,3-7,14-15,17H2,1-2H3
Standard InChI Key: ANJHCGLMGPLEJO-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: 398.50Molecular Weight (Monoisotopic): 398.2093AlogP: 4.92#Rotatable Bonds: 10Polar Surface Area: 53.99Molecular Species: NEUTRALHBA: 5HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: 4.88CX LogD: 4.88Aromatic Rings: 2Heavy Atoms: 29QED Weighted: 0.42Np Likeness Score: 0.23