General Information of the Compound
Compound ID
CP0407047
Compound Name
4-chloro-N-[3-[6-chloro-4-(4-ethyl-1,3-thiazol-2-yl)pyridin-2-yl]oxyphenyl]benzenesulfonamide
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Structure
Formula
C22H17Cl2N3O3S2
Molecular Weight
506.436
Canonical SMILES
CCc1csc(n1)-c1cc(Cl)nc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1
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InChI
InChI=1S/C22H17Cl2N3O3S2/c1-2-16-13-31-22(25-16)14-10-20(24)26-21(11-14)30-18-5-3-4-17(12-18)27-32(28,29)19-8-6-15(23)7-9-19/h3-13,27H,2H2,1H3
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InChIKey
NENDZDPYEWSGOA-UHFFFAOYSA-N
Physicochemical Property
logP
6.6674
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
81.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 71655253
ChEMBL ID
CHEMBL2391598
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: PT02455, Glucose-dependent insulinotropic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 89 nM
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