General Information of the Compound
Compound ID
CP0559335
Compound Name
2-(2,4-dichlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
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Structure
Formula
C20H16Cl2N2O3S
Molecular Weight
435.332
Canonical SMILES
Clc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccccc2)c(Cl)c1
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InChI
InChI=1S/C20H16Cl2N2O3S/c21-15-7-6-14(19(22)13-15)12-20(25)23-16-8-10-18(11-9-16)28(26,27)24-17-4-2-1-3-5-17/h1-11,13,24H,12H2,(H,23,25)
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InChIKey
UOTKLTIZCNVGLS-UHFFFAOYSA-N
Physicochemical Property
logP
4.9754
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 18205005
ChEMBL ID
CHEMBL4847143
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: PT06792, Probable G-protein coupled receptor 27
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 100000 nM
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