General Information of the Compound
Compound ID
CP0346301
Compound Name
4-methoxyphenyl 2-phenylethenesulfonate
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Structure
Formula
C15H14O4S
Molecular Weight
290.34
Canonical SMILES
COc1ccc(OS(=O)(=O)\C=C\c2ccccc2)cc1
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InChI
InChI=1S/C15H14O4S/c1-18-14-7-9-15(10-8-14)19-20(16,17)12-11-13-5-3-2-4-6-13/h2-12H,1H3/b12-11+
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InChIKey
VGUBZZARCMBYLX-VAWYXSNFSA-N
Physicochemical Property
logP
3.0747
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
52.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 6036014
SID: 26738381
ChEMBL ID
CHEMBL469941
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
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 1480 nM
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