General Information of the Compound
Compound ID
CP0567486
Compound Name
5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
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Structure
Formula
C24H32N6O2
Molecular Weight
436.56
Canonical SMILES
CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)-n1cc(CO)cn1
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InChI
InChI=1S/C24H32N6O2/c1-23(2)11-18(12-24(3,4)28-23)29(5)22-9-8-20(26-27-22)19-7-6-17(10-21(19)32)30-14-16(15-31)13-25-30/h6-10,13-14,18,28,31-32H,11-12,15H2,1-5H3
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InChIKey
HVYYWJDRZBFWQO-UHFFFAOYSA-N
Physicochemical Property
logP
3.2726
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
99.33
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Complexity
32

"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: 136598247
ChEMBL ID
CHEMBL4291213
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 = 16000 nM
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