General Information of the Compound
Compound ID
CP0300605
Compound Name
1-methoxy-2-[(E)-2-phenylethenyl]benzene
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Structure
Formula
C15H14O
Molecular Weight
210.276
Canonical SMILES
COc1ccccc1\C=C\c1ccccc1
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InChI
InChI=1S/C15H14O/c1-16-15-10-6-5-9-14(15)12-11-13-7-3-2-4-8-13/h2-12H,1H3/b12-11+
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InChIKey
FLQOKJWUYDGZIT-VAWYXSNFSA-N
Physicochemical Property
logP
3.8656
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
9.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
16

"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).

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PubChem ID
CID: 5375953
SID: 16557923
ChEMBL ID
CHEMBL2387062
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 = 4400 nM
   TI
   LI
   LO
   TS
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 = 880 nM
   TI
   LI
   LO
   TS
2
IC50 = 1700 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