General Information of the Compound
Compound ID
CP0375052
Compound Name
N-(4-methylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
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Structure
Formula
C14H12N4S
Molecular Weight
268.345
Canonical SMILES
Cc1ccnc(Nc2nc(cs2)-c2ccccn2)c1
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InChI
InChI=1S/C14H12N4S/c1-10-5-7-16-13(8-10)18-14-17-12(9-19-14)11-4-2-3-6-15-11/h2-9H,1H3,(H,16,17,18)
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InChIKey
QMEBVRXZLKAAIG-UHFFFAOYSA-N
Physicochemical Property
logP
3.65212
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
50.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 704452
SID: 56383625
ChEMBL ID
CHEMBL476339
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: PT04721, Small conductance calcium-activated potassium channel protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 4 nM
   TI
   LI
   LO
   TS
Protein ID: PT05865, Small conductance calcium-activated potassium channel protein 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 11 nM
   TI
   LI
   LO
   TS
2
IC50 = 59 nM
   TI
   LI
   LO
   TS
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)  3
1
IC50 = 4 nM
   TI
   LI
   LO
   TS
2
IC50 = 56 nM
   TI
   LI
   LO
   TS
3
IC50 = 59 nM
   TI
   LI
   LO
   TS