General Information of the Compound
Compound ID
CP0207733
Compound Name
4-cyclohexyl-1,7-dihydropyrazolo[3,4-b]pyridin-6-one
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Structure
Formula
C12H15N3O
Molecular Weight
217.272
Canonical SMILES
O=c1cc(C2CCCCC2)c2c[nH]nc2[nH]1
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InChI
InChI=1S/C12H15N3O/c16-11-6-9(8-4-2-1-3-5-8)10-7-13-15-12(10)14-11/h6-8H,1-5H2,(H2,13,14,15,16)
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InChIKey
MCAQAKUWAWWANZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.2989
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
61.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 156017977
ChEMBL ID
CHEMBL4645113
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 > 50000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 15000 nM