General Information of the Compound
Compound ID
CP0453795
Compound Name
5-amino-7-[(3,5-dimethoxyphenyl)amino]imidazo[1,2-a]pyrimidine-8-carboxamide
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Structure
Formula
C15H16N6O3
Molecular Weight
328.332
Canonical SMILES
COc1cc(Nc2nc(N)n3ccnc3c2C(N)=O)cc(OC)c1
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InChI
InChI=1S/C15H16N6O3/c1-23-9-5-8(6-10(7-9)24-2)19-13-11(12(16)22)14-18-3-4-21(14)15(17)20-13/h3-7,19H,1-2H3,(H2,16,22)(H2,17,20)
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InChIKey
DSNBVUZUJZEEOX-UHFFFAOYSA-N
Physicochemical Property
logP
1.1712
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
129.79
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Complexity
24

"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: 25138151
ChEMBL ID
CHEMBL481973
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: PT02470, Lysine--tRNA ligase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 7100 nM
   TI
   LI
   LO
   TS
Protein ID: PT01441, Tyrosine-protein kinase SYK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 7100 nM
   TI
   LI
   LO
   TS
Protein ID: PT00846, Tyrosine-protein kinase ZAP-70
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS