General Information of the Compound
Compound ID
CP0566591
Compound Name
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methoxypyridin-2-yl)-1,3-thiazol-2-amine
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Structure
Formula
C14H14N4OS2
Molecular Weight
318.427
Canonical SMILES
COc1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
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InChI
InChI=1S/C14H14N4OS2/c1-8-13(21-9(2)16-8)11-7-20-14(17-11)18-12-5-4-10(19-3)6-15-12/h4-7H,1-3H3,(H,15,17,18)
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InChIKey
ZPYHZOHERCFPAF-UHFFFAOYSA-N
Physicochemical Property
logP
4.03064
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
59.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
21

"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: 121477020
ChEMBL ID
CHEMBL3944251
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: PT03081, Transient receptor potential cation channel subfamily V member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 35 nM
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