General Information of the Compound
Compound ID
CP0467260
Compound Name
5-[2-chloro-6-[[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]oxy]pyridin-4-yl]-3-cyclopropyl-1,2,4-oxadiazole
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Structure
Formula
C24H18Cl2N4O4S
Molecular Weight
529.405
Canonical SMILES
Clc1ccc(cc1)S(=O)(=O)N1CCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
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InChI
InChI=1S/C24H18Cl2N4O4S/c25-17-4-7-19(8-5-17)35(31,32)30-10-9-14-3-6-18(13-20(14)30)33-22-12-16(11-21(26)27-22)24-28-23(29-34-24)15-1-2-15/h3-8,11-13,15H,1-2,9-10H2
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InChIKey
HTDMEDCNDOOOAQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.8595
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
98.42
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
35

"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: 76335815
ChEMBL ID
CHEMBL3113000
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 = 60 nM
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