General Information of the Compound
Compound ID
CP0144578
Compound Name
(E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide
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Structure
Formula
C15H12FNO
Molecular Weight
241.265
Canonical SMILES
Fc1ccc(NC(=O)\C=C\c2ccccc2)cc1
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InChI
InChI=1S/C15H12FNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)/b11-6+
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InChIKey
FSGUMUYMSDYGOB-IZZDOVSWSA-N
CAS
19358-27-1
Physicochemical Property
logP
3.4776
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
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).

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PubChem ID
CID: 727131
SID: 96046303
ChEMBL ID
CHEMBL2336361
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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 10020 nM
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