General Information of the Compound
Compound ID
CP0063789
Compound Name
1-methoxy-4-[(E)-2-(4-methoxyphenyl)vinyl]benzene
    Show/Hide
Structure
Formula
C16H16O2
Molecular Weight
240.302
Canonical SMILES
COc1ccc(\C=C\c2ccc(OC)cc2)cc1
    Show/Hide
InChI
InChI=1S/C16H16O2/c1-17-15-9-5-13(6-10-15)3-4-14-7-11-16(18-2)12-8-14/h3-12H,1-2H3/b4-3+
    Show/Hide
InChIKey
CAWFCZIEFIQKRV-ONEGZZNKSA-N
CAS
4705-34-4
15638-14-9
Physicochemical Property
logP
3.8742
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
18.46
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 641296
SID: 14749558
ChEMBL ID
CHEMBL310102
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: PT02148, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 4200 nM
   TI
   LI
   LO
   TS
2
IC50 = 10600 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS