General Information of the Compound
Compound ID
CP0378910
Compound Name
N-[3-(3-cyano-4,6-dimethylpyridin-2-yl)oxyphenyl]-4-propan-2-ylbenzenesulfonamide
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Structure
Formula
C23H23N3O3S
Molecular Weight
421.522
Canonical SMILES
CC(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1
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InChI
InChI=1S/C23H23N3O3S/c1-15(2)18-8-10-21(11-9-18)30(27,28)26-19-6-5-7-20(13-19)29-23-22(14-24)16(3)12-17(4)25-23/h5-13,15,26H,1-4H3
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InChIKey
MKFLYMXZCQWWHO-UHFFFAOYSA-N
Physicochemical Property
logP
5.28662
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
92.08
Hydrogen Bond Donor Count
1
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: 71654938
ChEMBL ID
CHEMBL2391605
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 = 810 nM
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