General Information of the Compound
Compound ID
CP0902567
Compound Name
2-(bis(2-fluorophenyl)(hydroxy)methyl)-1-ethyl-N-methyl-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C24H21F2N3O2
Molecular Weight
421.447
Canonical SMILES
CCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2ccc(C(=O)NC)cc21
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InChI
InChI=1S/C24H21F2N3O2/c1-3-29-21-14-15(22(30)27-2)12-13-20(21)28-23(29)24(31,16-8-4-6-10-18(16)25)17-9-5-7-11-19(17)26/h4-14,31H,3H2,1-2H3,(H,27,30)
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InChIKey
CGMZBEPXCLYWRJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9782
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
67.15
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 126726322
ChEMBL ID
CHEMBL4549572
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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