General Information of the Compound
Compound ID
CP0162853
Compound Name
4-cyclohexyl-3-cyclopropyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
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Structure
Formula
C15H19N3O
Molecular Weight
257.337
Canonical SMILES
O=c1cc(C2CCCCC2)c2c([nH]nc2[nH]1)C1CC1
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InChI
InChI=1S/C15H19N3O/c19-12-8-11(9-4-2-1-3-5-9)13-14(10-6-7-10)17-18-15(13)16-12/h8-10H,1-7H2,(H2,16,17,18,19)
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InChIKey
FGXYVPZOBRZUPC-UHFFFAOYSA-N
Physicochemical Property
logP
3.1763
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
61.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 156020303
ChEMBL ID
CHEMBL4648246
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: PT01659, Tyrosine-protein kinase JAK1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000743 CellSensor STAT6-bla RA-1 Homo sapiens (Human)  1
1
IC50 = 1800 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 500 nM
Protein ID: PT01214, Tyrosine-protein kinase JAK2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000128 TF-1 Homo sapiens (Human)  1
1
IC50 > 40000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1300 nM