General Information of the Compound
Compound ID
CP0069190
Compound Name
(E)-N-(2-fluorophenyl)-3-phenylprop-2-enamide
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Structure
Formula
C15H12FNO
Molecular Weight
241.265
Canonical SMILES
Fc1ccccc1NC(=O)\C=C\c1ccccc1
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InChI
InChI=1S/C15H12FNO/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18)/b11-10+
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InChIKey
GFAVMCPSQILRPK-ZHACJKMWSA-N
CAS
25893-50-9
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: 875024
SID: 163514826
ChEMBL ID
CHEMBL1998736
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 = 7370 nM
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