General Information of the Compound
Compound ID
CP0964257
Compound Name
methyl 2-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yloxy)acetate
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Structure
Formula
C25H24N2O4
Molecular Weight
416.477
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCC(=O)OC)cc21
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InChI
InChI=1S/C25H24N2O4/c1-3-27-22-16-20(31-17-23(28)30-2)14-15-21(22)26-24(27)25(29,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,29H,3,17H2,1-2H3
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InChIKey
BGBKRPCBNPOLIN-UHFFFAOYSA-N
Physicochemical Property
logP
3.8922
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
73.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 118516003
ChEMBL ID
CHEMBL4570193
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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