General Information of the Compound
Compound ID
CP0541634
Compound Name
1-fluoro-3-[(E)-2-(4-methylphenyl)ethenyl]benzene
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Structure
Formula
C15H13F
Molecular Weight
212.267
Canonical SMILES
Cc1ccc(\C=C\c2cccc(F)c2)cc1
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InChI
InChI=1S/C15H13F/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(16)11-14/h2-11H,1H3/b10-9+
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InChIKey
SSSMESAZOJHITE-MDZDMXLPSA-N
Physicochemical Property
logP
4.30452
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
0
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
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: 10420716
SID: 15439031
ChEMBL ID
CHEMBL3973512
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 = 800 nM
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