General Information of the Compound
Compound ID
CP0415106
Compound Name
N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-2-phenoxyacetamide
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Structure
Formula
C22H22N2O5S
Molecular Weight
426.494
Canonical SMILES
COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)COc3ccccc3)c2)cc1
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InChI
InChI=1S/C22H22N2O5S/c1-16-8-13-20(30(26,27)24-17-9-11-18(28-2)12-10-17)14-21(16)23-22(25)15-29-19-6-4-3-5-7-19/h3-14,24H,15H2,1-2H3,(H,23,25)
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InChIKey
VOGWFGBMEJZAIM-UHFFFAOYSA-N
Physicochemical Property
logP
3.82192
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
93.73
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: 122179047
ChEMBL ID
CHEMBL3581737
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: PT03938, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000742 FreeStyle 293-F Homo sapiens (Human)  1
1
IC50 = 130 nM
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