General Information of the Compound
Compound ID
CP0501958
Compound Name
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-m-tolylthiazol-2-amine
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Structure
Formula
C17H15N5S
Molecular Weight
321.409
Canonical SMILES
Cc1nc2ncccn2c1-c1csc(Nc2cccc(C)c2)n1
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InChI
InChI=1S/C17H15N5S/c1-11-5-3-6-13(9-11)20-17-21-14(10-23-17)15-12(2)19-16-18-7-4-8-22(15)16/h3-10H,1-2H3,(H,20,21)
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InChIKey
TWQIHXFRVKMKFK-UHFFFAOYSA-N
Physicochemical Property
logP
4.21324
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
55.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 702448
ChEMBL ID
CHEMBL213351
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: PT06527, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS