General Information of the Compound
Compound ID
CP0560244
Compound Name
4-[cyclohexyl(methyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
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Structure
Formula
C14H19N5O
Molecular Weight
273.34
Canonical SMILES
CN(C1CCCCC1)c1c(cnc2[nH]ncc12)C(N)=O
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InChI
InChI=1S/C14H19N5O/c1-19(9-5-3-2-4-6-9)12-10(13(15)20)7-16-14-11(12)8-17-18-14/h7-9H,2-6H2,1H3,(H2,15,20)(H,16,17,18)
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InChIKey
PIFIJTJTHJCRAA-UHFFFAOYSA-N
Physicochemical Property
logP
1.8257
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
87.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 156018605
ChEMBL ID
CHEMBL4644838
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: PT00892, Tyrosine-protein kinase JAK3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 3000 nM
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