DI(P-TOLYL)(DIMETHYLAMINOETHOXY)METHANE

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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 GCQBCPOXKWXSTH-UHFFFAOYSA-N
Smiles CN(C)CCOC(c1ccc(C)cc1)c2ccc(C)cc2
InChI
InChI=1S/C19H25NO/c1-15-5-9-17(10-6-15)19(21-14-13-20(3)4)18-11-7-16(2)8-12-18/h5-12,19H,13-14H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25NO
Molecular Weight 283.41
AlogP 4.36
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- - - - 34.69-66.66

Cross References

Resources Reference
ChEMBL CHEMBL2237336
PubChem 29100
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