General Information of the Compound
Compound ID
CP0494652
Compound Name
4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine
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Structure
Formula
C12H9N5S
Molecular Weight
255.306
Canonical SMILES
N(c1nc(cs1)-c1ccccn1)c1ncccn1
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InChI
InChI=1S/C12H9N5S/c1-2-5-13-9(4-1)10-8-18-12(16-10)17-11-14-6-3-7-15-11/h1-8H,(H,14,15,16,17)
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InChIKey
QAINFPRHEISSOY-UHFFFAOYSA-N
Physicochemical Property
logP
2.7387
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
63.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
18

"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: 746607
SID: 136350129
ChEMBL ID
CHEMBL503704
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: PT04088, Small conductance calcium-activated potassium channel protein 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
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