General Information of the Compound
Compound ID
CP0409318
Compound Name
6-fluoro-1-methyl-5-(7-methyl-2-piperidin-4-ylindazol-5-yl)pyridin-2-one
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Structure
Formula
C19H21FN4O
Molecular Weight
340.402
Canonical SMILES
Cc1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n(C)c1F
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InChI
InChI=1S/C19H21FN4O/c1-12-9-13(16-3-4-17(25)23(2)19(16)20)10-14-11-24(22-18(12)14)15-5-7-21-8-6-15/h3-4,9-11,15,21H,5-8H2,1-2H3
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InChIKey
ASPUHMNPVOLVMC-UHFFFAOYSA-N
Physicochemical Property
logP
2.77402
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
51.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 156010203
ChEMBL ID
CHEMBL4633872
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 = 13 nM
   TI
   LI
   LO
   TS
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  1
1
IC50 = 800 nM
   TI
   LI
   LO
   TS