General Information of the Compound
Compound ID
CP0944453
Compound Name
3-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yl)tetrahydrofuran-3-ol
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Structure
Formula
C26H26N2O3
Molecular Weight
414.505
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C3(O)CCOC3)cc21
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InChI
InChI=1S/C26H26N2O3/c1-2-28-23-17-21(25(29)15-16-31-18-25)13-14-22(23)27-24(28)26(30,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,29-30H,2,15-16,18H2,1H3
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InChIKey
WEBMCNMKCCZECH-UHFFFAOYSA-N
Physicochemical Property
logP
3.9483
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
67.51
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 126726362
ChEMBL ID
CHEMBL4588704
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 > 1000 nM
   TI
   LI
   LO
   TS