General Information of the Compound
Compound ID
CP0138955
Compound Name
7-(3,5-Dimethoxyphenylamino)-5-(2-methylcyclohexylamino)imidazo[1,2-c]pyrimidine-8-carboxamide
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Structure
Formula
C22H28N6O3
Molecular Weight
424.505
Canonical SMILES
COc1cc(Nc2nc(NC3CCCCC3C)n3ccnc3c2C(N)=O)cc(OC)c1
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InChI
InChI=1S/C22H28N6O3/c1-13-6-4-5-7-17(13)26-22-27-20(18(19(23)29)21-24-8-9-28(21)22)25-14-10-15(30-2)12-16(11-14)31-3/h8-13,17,25H,4-7H2,1-3H3,(H2,23,29)(H,26,27)
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InChIKey
FOGAMHNVNPPKSU-UHFFFAOYSA-N
Physicochemical Property
logP
3.5796
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
115.8
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Complexity
31

"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: 44593467
ChEMBL ID
CHEMBL475180
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: 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 = 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1000 nM
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 = 3300 nM
   TI
   LI
   LO
   TS