General Information of the Compound
Compound ID
CP0954191
Compound Name
1-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yl)cyclohexan-1-ol
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Structure
Formula
C28H30N2O2
Molecular Weight
426.56
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C3(O)CCCCC3)cc21
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InChI
InChI=1S/C28H30N2O2/c1-2-30-25-20-23(27(31)18-10-5-11-19-27)16-17-24(25)29-26(30)28(32,21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-4,6-9,12-17,20,31-32H,2,5,10-11,18-19H2,1H3
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InChIKey
YETBBNFGWXXECV-UHFFFAOYSA-N
Physicochemical Property
logP
5.4921
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
58.28
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 118519293
ChEMBL ID
CHEMBL4516038
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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