General Information of the Compound
Compound ID
CP0959331
Compound Name
N,1-diethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazole-6-sulfonamide
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Structure
Formula
C24H25N3O3S
Molecular Weight
435.549
Canonical SMILES
CCNS(=O)(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC)c2c1
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InChI
InChI=1S/C24H25N3O3S/c1-3-25-31(29,30)20-15-16-21-22(17-20)27(4-2)23(26-21)24(28,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17,25,28H,3-4H2,1-2H3
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InChIKey
PTJUPSCQMNBHPA-UHFFFAOYSA-N
Physicochemical Property
logP
3.6386
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
84.22
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: 126726346
ChEMBL ID
CHEMBL4589684
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
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