General Information of the Compound
Compound ID
CP0915892
Compound Name
(R)-2-(bis(2,4-difluorophenyl)(hydroxy)methyl)-N-(2-hydroxypropyl)-1-methyl-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C25H21F4N3O3
Molecular Weight
487.453
Canonical SMILES
C[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccc(F)cc3F)c3ccc(F)cc3F)n(C)c2c1
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InChI
InChI=1S/C25H21F4N3O3/c1-13(33)12-30-23(34)14-3-8-21-22(9-14)32(2)24(31-21)25(35,17-6-4-15(26)10-19(17)28)18-7-5-16(27)11-20(18)29/h3-11,13,33,35H,12H2,1-2H3,(H,30,34)/t13-/m1/s1
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InChIKey
FJVGKCXJWSUWAM-CYBMUJFWSA-N
Physicochemical Property
logP
3.5245
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
87.38
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: 126726334
ChEMBL ID
CHEMBL4538353
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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