General Information of the Compound
Compound ID
CP0177662
Compound Name
5-[2,6-dichloro-4-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
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Structure
Formula
C18H11Cl4N3O4S
Molecular Weight
507.182
Canonical SMILES
NC(=O)c1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
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InChI
InChI=1S/C18H11Cl4N3O4S/c19-10-1-2-16(13(20)4-10)30(27,28)25-11-5-14(21)17(15(22)6-11)29-12-3-9(18(23)26)7-24-8-12/h1-8,25H,(H2,23,26)
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InChIKey
UOVZAVLNUTTZBU-UHFFFAOYSA-N
Physicochemical Property
logP
5.3872
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
111.38
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 71525218
SID: 163518343
ChEMBL ID
CHEMBL2338481
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: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 200 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 32 nM