General Information of the Compound
Compound ID
CP0566974
Compound Name
1-fluoro-4-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
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Structure
Formula
C15H13FO
Molecular Weight
228.266
Canonical SMILES
COc1cccc(\C=C\c2ccc(F)cc2)c1
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InChI
InChI=1S/C15H13FO/c1-17-15-4-2-3-13(11-15)6-5-12-7-9-14(16)10-8-12/h2-11H,1H3/b6-5+
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InChIKey
PFJBDLNWLFPQCD-AATRIKPKSA-N
Physicochemical Property
logP
4.0047
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
9.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 134137387
ChEMBL ID
CHEMBL3892462
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 = 6000 nM
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