General Information of the Compound
Compound ID
CP0481313
Compound Name
4-[6-amino-5-(6-methoxypyridin-3-yl)pyridin-3-yl]-N-methylbenzenesulfonamide
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Structure
Formula
C18H18N4O3S
Molecular Weight
370.434
Canonical SMILES
CNS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(OC)nc1
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InChI
InChI=1S/C18H18N4O3S/c1-20-26(23,24)15-6-3-12(4-7-15)14-9-16(18(19)22-11-14)13-5-8-17(25-2)21-10-13/h3-11,20H,1-2H3,(H2,19,22)
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InChIKey
NIENXNMDVOMRQU-UHFFFAOYSA-N
Physicochemical Property
logP
2.3095
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
107.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 53312148
SID: 124771642
ChEMBL ID
CHEMBL2181493
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 > 11000 nM
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