General Information of the Compound
Compound ID
CP0433408
Compound Name
4-chloro-N-[3-[6-chloro-4-(1,3-thiazol-2-yl)pyridin-2-yl]oxyphenyl]benzenesulfonamide
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Structure
Formula
C20H13Cl2N3O3S2
Molecular Weight
478.382
Canonical SMILES
Clc1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2cc(cc(Cl)n2)-c2nccs2)c1
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InChI
InChI=1S/C20H13Cl2N3O3S2/c21-14-4-6-17(7-5-14)30(26,27)25-15-2-1-3-16(12-15)28-19-11-13(10-18(22)24-19)20-23-8-9-29-20/h1-12,25H
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InChIKey
DAUKIMQEXRXKPW-UHFFFAOYSA-N
Physicochemical Property
logP
6.105
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
81.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 71655252
ChEMBL ID
CHEMBL2391597
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 = 68 nM
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