General Information of the Compound
Compound ID
CP0964622
Compound Name
1-ethyl-2-(hydroxydiphenylmethyl)-N-methyl-1H-benzo[d]imidazole-6-sulfonamide
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Structure
Formula
C23H23N3O3S
Molecular Weight
421.522
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(S(=O)(=O)NC)cc21
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InChI
InChI=1S/C23H23N3O3S/c1-3-26-21-16-19(30(28,29)24-2)14-15-20(21)25-22(26)23(27,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,24,27H,3H2,1-2H3
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InChIKey
MFCCDUQGNFRABA-UHFFFAOYSA-N
Physicochemical Property
logP
3.2485
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
84.22
Hydrogen Bond Donor Count
2
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: 126726342
ChEMBL ID
CHEMBL4591463
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