General Information of the Compound
Compound ID
CP0887690
Compound Name
2-(hydroxydiphenylmethyl)-1-methyl-1H-benzo[d]imidazole-6-sulfonamide
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Structure
Formula
C21H19N3O3S
Molecular Weight
393.468
Canonical SMILES
Cn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(S(N)(=O)=O)cc21
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InChI
InChI=1S/C21H19N3O3S/c1-24-19-14-17(28(22,26)27)12-13-18(19)23-20(24)21(25,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,25H,1H3,(H2,22,26,27)
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InChIKey
NUOSEGUBWBCTJI-UHFFFAOYSA-N
Physicochemical Property
logP
2.5049
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
98.21
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 126726373
ChEMBL ID
CHEMBL4514645
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
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 < 50 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 < 50 nM
   TI
   LI
   LO
   TS