General Information of the Compound
Compound ID
CP0948222
Compound Name
(1-ethyl-6-(ethylsulfonyl)-1H-benzo[d]imidazol-2-yl)diphenylmethanol
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Structure
Formula
C24H24N2O3S
Molecular Weight
420.534
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(S(=O)(=O)CC)cc21
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InChI
InChI=1S/C24H24N2O3S/c1-3-26-22-17-20(30(28,29)4-2)15-16-21(22)25-23(26)24(27,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17,27H,3-4H2,1-2H3
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InChIKey
NCZUPIPPHWSHAQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.134
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
72.19
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 126726369
ChEMBL ID
CHEMBL4538603
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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