General Information of the Compound
Compound ID
CP0883809
Compound Name
(1-ethyl-6-(4-ethyl-1H-imidazol-2-yl)-1H-benzo[d]imidazol-2-yl)diphenylmethanol
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Structure
Formula
C28H27N5O2
Molecular Weight
465.557
Canonical SMILES
CCc1c[nH]c(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)n1
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InChI
InChI=1S/C28H27N5O2/c1-3-22-18-29-27(30-22)32-25(34)19-15-16-23-24(17-19)33(4-2)26(31-23)28(35,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18,35H,3-4H2,1-2H3,(H2,29,30,32,34)
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InChIKey
YYTSPHKSSQFATK-UHFFFAOYSA-N
Physicochemical Property
logP
4.8782
Rotatable Bonds
7
Heavy Atom Count
35
Polar Areas
95.83
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
35

"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: 126726453
ChEMBL ID
CHEMBL4552144
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: PT05157, Acetyl-coenzyme A synthetase, cytoplasmic
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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