General Information of the Compound
Compound ID
CP0126121
Compound Name
2-acetamido-N-[1-(6-cyanopyrazin-2-yl)indazol-6-yl]acetamide
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Structure
Formula
C16H13N7O2
Molecular Weight
335.327
Canonical SMILES
CC(=O)NCC(=O)Nc1ccc2cnn(-c3cncc(n3)C#N)c2c1
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InChI
InChI=1S/C16H13N7O2/c1-10(24)19-9-16(25)22-12-3-2-11-6-20-23(14(11)4-12)15-8-18-7-13(5-17)21-15/h2-4,6-8H,9H2,1H3,(H,19,24)(H,22,25)
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InChIKey
PFLXIJQLSJAMPX-UHFFFAOYSA-N
Physicochemical Property
logP
0.76178
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
125.59
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
25

"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: 145968504
ChEMBL ID
CHEMBL4224786
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: PT01210, Casein kinase II subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2700 nM
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