General Information of the Compound
Compound ID
CP0485875
Compound Name
2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-pyrazol-1-ylphenol
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Structure
Formula
C23H30N6O
Molecular Weight
406.534
Canonical SMILES
CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)-n1cccn1
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InChI
InChI=1S/C23H30N6O/c1-22(2)14-17(15-23(3,4)27-22)28(5)21-10-9-19(25-26-21)18-8-7-16(13-20(18)30)29-12-6-11-24-29/h6-13,17,27,30H,14-15H2,1-5H3
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InChIKey
DYYYAFDPBKZELV-UHFFFAOYSA-N
Physicochemical Property
logP
3.7803
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
79.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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: 136253041
ChEMBL ID
CHEMBL4280558
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 300 nM
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   LI
   LO
   TS