General Information of the Compound
Compound ID
CP0874663
Compound Name
2-(bis(4-fluorophenyl)(hydroxy)methyl)-N,1-dimethyl-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C23H19F2N3O2
Molecular Weight
407.42
Canonical SMILES
CNC(=O)c1ccc2nc(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)n(C)c2c1
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InChI
InChI=1S/C23H19F2N3O2/c1-26-21(29)14-3-12-19-20(13-14)28(2)22(27-19)23(30,15-4-8-17(24)9-5-15)16-6-10-18(25)11-7-16/h3-13,30H,1-2H3,(H,26,29)
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InChIKey
BWKNKWROJLUVQS-UHFFFAOYSA-N
Physicochemical Property
logP
3.4953
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
67.15
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 126726287
ChEMBL ID
CHEMBL4532410
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 = 250 nM
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