General Information of the Compound
Compound ID
CP0944953
Compound Name
1-ethyl-2-((2-fluorophenyl)(hydroxy)(phenyl)methyl)-N-(2-hydroxyethyl)-1H-benzo[d]imidazole-6-carboxamide
    Show/Hide
Structure
Formula
C25H24FN3O3
Molecular Weight
433.483
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2F)nc2ccc(C(=O)NCCO)cc21
    Show/Hide
InChI
InChI=1S/C25H24FN3O3/c1-2-29-22-16-17(23(31)27-14-15-30)12-13-21(22)28-24(29)25(32,18-8-4-3-5-9-18)19-10-6-7-11-20(19)26/h3-13,16,30,32H,2,14-15H2,1H3,(H,27,31)
    Show/Hide
InChIKey
ANMQEMOWWUEANE-UHFFFAOYSA-N
Physicochemical Property
logP
3.2016
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
87.38
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
32

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 126726320
ChEMBL ID
CHEMBL4518687
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
   TI
   LI
   LO
   TS