General Information of the Compound
Compound ID
CP0414916
Compound Name
4-chloro-N-methyl-N-[3-(6-methyl-1,3-dioxo-2-propan-2-ylpyrrolo[3,4-c]pyridin-4-yl)oxyphenyl]benzenesulfonamide
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Structure
Formula
C24H22ClN3O5S
Molecular Weight
499.976
Canonical SMILES
CC(C)N1C(=O)c2cc(C)nc(Oc3cccc(c3)N(C)S(=O)(=O)c3ccc(Cl)cc3)c2C1=O
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InChI
InChI=1S/C24H22ClN3O5S/c1-14(2)28-23(29)20-12-15(3)26-22(21(20)24(28)30)33-18-7-5-6-17(13-18)27(4)34(31,32)19-10-8-16(25)9-11-19/h5-14H,1-4H3
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InChIKey
SUGAFSCTMRIQEW-UHFFFAOYSA-N
Physicochemical Property
logP
4.66522
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
96.88
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
34

"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: 72945899
ChEMBL ID
CHEMBL3104882
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 = 11 nM
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