General Information of the Compound
Compound ID
CP0391441
Compound Name
(E)-3-phenyl-N-(4-propan-2-ylphenyl)prop-2-enamide
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Structure
Formula
C18H19NO
Molecular Weight
265.356
Canonical SMILES
CC(C)c1ccc(NC(=O)\C=C\c2ccccc2)cc1
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InChI
InChI=1S/C18H19NO/c1-14(2)16-9-11-17(12-10-16)19-18(20)13-8-15-6-4-3-5-7-15/h3-14H,1-2H3,(H,19,20)/b13-8+
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InChIKey
SRJUSGJYCYFWDF-MDWZMJQESA-N
Physicochemical Property
logP
4.4619
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 792233
ChEMBL ID
CHEMBL2283245
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 = 14580 nM
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