General Information of the Compound
Compound ID
CP0357891
Compound Name
1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-amine
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Structure
Formula
C10H14N6
Molecular Weight
218.264
Canonical SMILES
NC1CCN(CC1)c1ncnc2n[nH]cc12
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InChI
InChI=1S/C10H14N6/c11-7-1-3-16(4-2-7)10-8-5-14-15-9(8)12-6-13-10/h5-7H,1-4,11H2,(H,12,13,14,15)
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InChIKey
CFHQYSKGGQEOCZ-UHFFFAOYSA-N
Physicochemical Property
logP
0.2804
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
83.72
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 11535873
SID: 16637890
ChEMBL ID
CHEMBL265451
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: PT00962, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000285 PC-3M Homo sapiens (Human)  1
1
IC50 > 30000 nM
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