General Information of the Compound
Compound ID
CP0485876
Compound Name
6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
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Structure
Formula
C23H29N5O
Molecular Weight
391.519
Canonical SMILES
CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1cc2cccnc2cc1O
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InChI
InChI=1S/C23H29N5O/c1-22(2)13-16(14-23(3,4)27-22)28(5)21-9-8-18(25-26-21)17-11-15-7-6-10-24-19(15)12-20(17)29/h6-12,16,27,29H,13-14H2,1-5H3
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InChIKey
NBDLBNPFPBBYKY-UHFFFAOYSA-N
Physicochemical Property
logP
4.1428
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
74.17
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 136607508
ChEMBL ID
CHEMBL4277023
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 = 4500 nM
   TI
   LI
   LO
   TS