General Information of the Compound
Compound ID
CP0534028
Compound Name
N-[4-(benzoylsulfamoyl)phenyl]-2,4-dichlorobenzamide
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Formula
C20H14Cl2N2O4S
Molecular Weight
449.315
Canonical SMILES
Clc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)NC(=O)c2ccccc2)c(Cl)c1
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InChI
InChI=1S/C20H14Cl2N2O4S/c21-14-6-11-17(18(22)12-14)20(26)23-15-7-9-16(10-8-15)29(27,28)24-19(25)13-4-2-1-3-5-13/h1-12H,(H,23,26)(H,24,25)
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InChIKey
LGGOIGYZPIHYDT-UHFFFAOYSA-N
Physicochemical Property
logP
4.3644
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
92.34
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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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ChEMBL ID
CHEMBL4857734
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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