General Information of the Compound
Compound ID
CP0152267
Compound Name
2-(4,5-diphenylimidazol-1-yl)-1-(4-nitrophenyl)ethanone
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Structure
Formula
C23H17N3O3
Molecular Weight
383.407
Canonical SMILES
[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc(c1-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C23H17N3O3/c27-21(17-11-13-20(14-12-17)26(28)29)15-25-16-24-22(18-7-3-1-4-8-18)23(25)19-9-5-2-6-10-19/h1-14,16H,15H2
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InChIKey
UZMAWYBBUPCSEI-UHFFFAOYSA-N
Physicochemical Property
logP
5.0082
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
78.03
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 40688890
SID: 136887956
ChEMBL ID
CHEMBL1946204
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: PT01911, Nitric oxide synthase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 36250 nM
   TI
   LI
   LO
   TS