General Information of the Compound
Compound ID
CP0490159
Compound Name
1,2-dimethoxy-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]benzene
    Show/Hide
Structure
Formula
C19H22O2
Molecular Weight
282.383
Canonical SMILES
COc1cccc(\C=C\c2ccc(cc2)C(C)C)c1OC
    Show/Hide
InChI
InChI=1S/C19H22O2/c1-14(2)16-11-8-15(9-12-16)10-13-17-6-5-7-18(20-3)19(17)21-4/h5-14H,1-4H3/b13-10+
    Show/Hide
InChIKey
YHYHBCQERBKTQZ-JLHYYAGUSA-N
Physicochemical Property
logP
4.9976
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
18.46
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 134139310
ChEMBL ID
CHEMBL3918400
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04367, Nuclear factor erythroid 2-related factor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 2700 nM
   TI
   LI
   LO
   TS