General Information of the Compound
Compound ID
CP0446773
Compound Name
3-methoxy-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[3,4-c]pyridin-3-yl]benzenesulfonamide
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Structure
Formula
C20H20N4O5S
Molecular Weight
428.47
Canonical SMILES
COc1ccc(cc1)N1CCc2c(NS(=O)(=O)c3cccc(OC)c3)n[nH]c2C1=O
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InChI
InChI=1S/C20H20N4O5S/c1-28-14-8-6-13(7-9-14)24-11-10-17-18(20(24)25)21-22-19(17)23-30(26,27)16-5-3-4-15(12-16)29-2/h3-9,12H,10-11H2,1-2H3,(H2,21,22,23)
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InChIKey
WYGMJFFDGHQWBP-UHFFFAOYSA-N
Physicochemical Property
logP
2.4306
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
113.62
Hydrogen Bond Donor Count
2
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: 71813988
ChEMBL ID
CHEMBL2407549
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 7080 nM
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