General Information of the Compound
Compound ID
CP0390118
Compound Name
4-(2-pyridin-3-ylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine
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Structure
Formula
C15H15N5
Molecular Weight
265.32
Canonical SMILES
C1CC(N(C1)c1ccnc2[nH]ncc12)c1cccnc1
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InChI
InChI=1S/C15H15N5/c1-3-11(9-16-6-1)13-4-2-8-20(13)14-5-7-17-15-12(14)10-18-19-15/h1,3,5-7,9-10,13H,2,4,8H2,(H,17,18,19)
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InChIKey
GXLJUNHCTWSKFY-UHFFFAOYSA-N
Physicochemical Property
logP
2.6944
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
57.7
Hydrogen Bond Donor Count
1
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: 137633222
ChEMBL ID
CHEMBL4066892
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: PT03510, Oxidized purine nucleoside triphosphate hydrolase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000002 K-562 Homo sapiens (Human)  1
1
EC50 = 251.19 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 30 nM