General Information of the Compound
Compound ID
CP0573705
Compound Name
N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
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Structure
Formula
C15H16N6OS
Molecular Weight
328.401
Canonical SMILES
Cn1cc(cn1)-c1nc(cs1)C(=O)Nc1cnn(c1)C1CCC1
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InChI
InChI=1S/C15H16N6OS/c1-20-7-10(5-16-20)15-19-13(9-23-15)14(22)18-11-6-17-21(8-11)12-3-2-4-12/h5-9,12H,2-4H2,1H3,(H,18,22)
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InChIKey
ACDBIJKZXKGOFW-UHFFFAOYSA-N
Physicochemical Property
logP
2.7174
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
77.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 165129904
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: PT01378, Leucine-rich repeat serine/threonine-protein kinase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 271 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 14 nM