General Information of the Compound
Compound ID
CP0526842
Compound Name
1,6-dimethyl-5-[7-methyl-2-(1-methylpiperidin-4-yl)indazol-5-yl]pyridin-2-one
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Structure
Formula
C21H26N4O
Molecular Weight
350.466
Canonical SMILES
CN1CCC(CC1)n1cc2cc(cc(C)c2n1)-c1ccc(=O)n(C)c1C
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InChI
InChI=1S/C21H26N4O/c1-14-11-16(19-5-6-20(26)24(4)15(19)2)12-17-13-25(22-21(14)17)18-7-9-23(3)10-8-18/h5-6,11-13,18H,7-10H2,1-4H3
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InChIKey
NNUYEYWSYDPUIJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.28554
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
43.06
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 156010975
ChEMBL ID
CHEMBL4633423
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: PT02546, Toll-like receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000752 PBMC iPSC #1 Homo sapiens (Human)  1
1
IC50 = 47 nM
   TI
   LI
   LO
   TS
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  1
1
IC50 = 3200 nM
   TI
   LI
   LO
   TS