General Information of the Compound
Compound ID
CP0488165
Compound Name
4-[6-amino-5-(6-methoxypyridin-3-yl)pyridin-3-yl]-N-cyclopropylbenzenesulfonamide
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Structure
Formula
C20H20N4O3S
Molecular Weight
396.472
Canonical SMILES
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(=O)(=O)NC1CC1
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InChI
InChI=1S/C20H20N4O3S/c1-27-19-9-4-14(11-22-19)18-10-15(12-23-20(18)21)13-2-7-17(8-3-13)28(25,26)24-16-5-6-16/h2-4,7-12,16,24H,5-6H2,1H3,(H2,21,23)
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InChIKey
DCOOJMBFLSZUEL-UHFFFAOYSA-N
Physicochemical Property
logP
2.8421
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
107.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 67325548
SID: 163539574
ChEMBL ID
CHEMBL2181495
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000695 CHL Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2100 nM
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