General Information of the Compound
Compound ID
CP0535010
Compound Name
N-(1-cyclobutylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
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Structure
Formula
C17H18N6O
Molecular Weight
322.372
Canonical SMILES
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cnn(c1)C1CCC1
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InChI
InChI=1S/C17H18N6O/c1-22-10-12(8-18-22)15-6-3-7-16(21-15)17(24)20-13-9-19-23(11-13)14-4-2-5-14/h3,6-11,14H,2,4-5H2,1H3,(H,20,24)
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InChIKey
DKXXASKVFUUZJT-UHFFFAOYSA-N
Physicochemical Property
logP
2.6559
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
77.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 168281604
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 = 905 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 53 nM