General Information of the Compound
Compound ID
CP0735624
Compound Name
N-[trans-4-(3-Methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]-pyridin-4-yl)cyclohexyl]cyclopropanecarboxamide
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Formula
C17H22N4O2
Molecular Weight
314.389
Canonical SMILES
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](NC(=O)C4CC4)CC3)c12
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InChI
InChI=1S/C17H22N4O2/c1-9-15-13(8-14(22)19-16(15)21-20-9)10-4-6-12(7-5-10)18-17(23)11-2-3-11/h8,10-12H,2-7H2,1H3,(H,18,23)(H2,19,20,21,22)/t10-,12-
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InChIKey
NHAKKWRQOVNJQT-UMSPYCQHSA-N
Physicochemical Property
logP
2.11202
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
90.64
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
23

"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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ChEMBL ID
CHEMBL4633028
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 > 14000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 220 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 > 14000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2100 nM