General Information of the Compound
Compound ID
CP0066866
Compound Name
(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide
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Structure
Formula
C16H15NO
Molecular Weight
237.302
Canonical SMILES
Cc1ccc(NC(=O)\C=C\c2ccccc2)cc1
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InChI
InChI=1S/C16H15NO/c1-13-7-10-15(11-8-13)17-16(18)12-9-14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)/b12-9+
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InChIKey
BZTAHBIRTCNRAW-FMIVXFBMSA-N
CAS
6876-68-2
5160-05-4
Physicochemical Property
logP
3.64692
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: 787183
ChEMBL ID
CHEMBL2336359
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 = 12690 nM
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