5-((DIPHENETHYLAMINO)METHYL)-2-METHOXYPHENOL

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key ZFAWDMYUUBEWIC-UHFFFAOYSA-N
Smiles COc1ccc(CN(CCc2ccccc2)CCc3ccccc3)cc1O
InChI
InChI=1S/C24H27NO2/c1-27-24-13-12-22(18-23(24)26)19-25(16-14-20-8-4-2-5-9-20)17-15-21-10-6-3-7-11-21/h2-13,18,26H,14-17,19H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H27NO2
Molecular Weight 361.48
AlogP 5.45
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 32.7
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Leishmania donovani
20750 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL2261987
PubChem 76315718
CONTENTS