General Information of the Compound
Compound ID
CP0421464
Compound Name
(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide
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Structure
Formula
C22H15NO3
Molecular Weight
341.366
Canonical SMILES
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C22H15NO3/c23-22(25)18-8-4-7-17-20(24)19(26-21(17)18)13-14-9-11-16(12-10-14)15-5-2-1-3-6-15/h1-13H,(H2,23,25)/b19-13-
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InChIKey
QLJBCQSTZYBROL-UYRXBGFRSA-N
Physicochemical Property
logP
4.0687
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
69.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 155523486
ChEMBL ID
CHEMBL4453142
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: PT00839, Poly [ADP-ribose] polymerase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 50 nM
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   LI
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