General Information of the Compound
Compound ID
CP0164491
Compound Name
N-cyclohexyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
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Structure
Formula
C19H20N6
Molecular Weight
332.411
Canonical SMILES
C1CCC(CC1)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
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InChI
InChI=1S/C19H20N6/c1-2-5-15(6-3-1)22-18-17(23-19-20-9-4-10-25(18)19)13-7-8-16-14(11-13)12-21-24-16/h4,7-12,15,22H,1-3,5-6H2,(H,21,24)
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InChIKey
CALAEFSQWBJMDU-UHFFFAOYSA-N
Physicochemical Property
logP
4.0172
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
70.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 25167072
SID: 57272848
ChEMBL ID
CHEMBL1682552
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: PT06138, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
Ki = 10 nM
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   LI
   LO
   TS