General Information of the Compound
Compound ID
CP0046712
Compound Name
(E)-N,3-diphenylprop-2-enamide
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Structure
Formula
C15H13NO
Molecular Weight
223.275
Canonical SMILES
O=C(Nc1ccccc1)\C=C\c1ccccc1
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InChI
InChI=1S/C15H13NO/c17-15(16-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H,(H,16,17)/b12-11+
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InChIKey
FIIZQHKGJMRJIL-VAWYXSNFSA-N
CAS
3056-73-3
Physicochemical Property
logP
3.3385
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 690158
SID: 14892350
ChEMBL ID
CHEMBL1830129
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 = 23160 nM
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