General Information of the Compound
Compound ID
CP0944961
Compound Name
1-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yl)-2,2,2-trifluoroethan-1-ol
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Structure
Formula
C24H21F3N2O2
Molecular Weight
426.438
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(O)C(F)(F)F)cc21
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InChI
InChI=1S/C24H21F3N2O2/c1-2-29-20-15-16(21(30)24(25,26)27)13-14-19(20)28-22(29)23(31,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,21,30-31H,2H2,1H3
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InChIKey
ZLFDRAUOHGQRHL-UHFFFAOYSA-N
Physicochemical Property
logP
4.9361
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
58.28
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: 118515846
ChEMBL ID
CHEMBL4539005
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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   LI
   LO
   TS