General Information of the Compound
Compound ID
CP0570115
Compound Name
2,4-dichloro-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]benzamide
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Structure
Formula
C19H13Cl3N2O3S
Molecular Weight
455.75
Canonical SMILES
Clc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1
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InChI
InChI=1S/C19H13Cl3N2O3S/c20-12-1-4-15(5-2-12)24-28(26,27)16-8-6-14(7-9-16)23-19(25)17-10-3-13(21)11-18(17)22/h1-11,24H,(H,23,25)
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InChIKey
WAGPNQZRBOWQIM-UHFFFAOYSA-N
Physicochemical Property
logP
5.6999
Rotatable Bonds
5
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: 125933531
ChEMBL ID
CHEMBL4860521
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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