General Information of the Compound
Compound ID
CP0570117
Compound Name
2,4-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
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Structure
Formula
C16H11Cl2N3O3S2
Molecular Weight
428.322
Canonical SMILES
Clc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)c(Cl)c1
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InChI
InChI=1S/C16H11Cl2N3O3S2/c17-10-1-6-13(14(18)9-10)15(22)20-11-2-4-12(5-3-11)26(23,24)21-16-19-7-8-25-16/h1-9H,(H,19,21)(H,20,22)
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InChIKey
KNTPHJCKWPHKJW-UHFFFAOYSA-N
Physicochemical Property
logP
4.503
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
88.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 1177181
ChEMBL ID
CHEMBL4869637
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 = 1300 nM
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