General Information of the Compound
Compound ID
CP0451295
Compound Name
2,4-Dichloro-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-benzamide
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Structure
Formula
C18H13Cl2N3O3S
Molecular Weight
422.293
Canonical SMILES
Clc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(Cl)c1
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InChI
InChI=1S/C18H13Cl2N3O3S/c19-12-4-9-15(16(20)11-12)18(24)22-13-5-7-14(8-6-13)27(25,26)23-17-3-1-2-10-21-17/h1-11H,(H,21,23)(H,22,24)
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InChIKey
SXDWQZCRILDHPD-UHFFFAOYSA-N
Physicochemical Property
logP
4.4415
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
88.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 1078173
ChEMBL ID
CHEMBL1322660
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 = 3019.95 nM
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