General Information of the Compound
Compound ID
CP0393474
Compound Name
3-acetamido-N-[1-(6-cyanopyrazin-2-yl)indazol-6-yl]propanamide
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Structure
Formula
C17H15N7O2
Molecular Weight
349.354
Canonical SMILES
CC(=O)NCCC(=O)Nc1ccc2cnn(-c3cncc(n3)C#N)c2c1
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InChI
InChI=1S/C17H15N7O2/c1-11(25)20-5-4-17(26)23-13-3-2-12-8-21-24(15(12)6-13)16-10-19-9-14(7-18)22-16/h2-3,6,8-10H,4-5H2,1H3,(H,20,25)(H,23,26)
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InChIKey
UHGRQDPSSKEARG-UHFFFAOYSA-N
Physicochemical Property
logP
1.15188
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
125.59
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 145971046
ChEMBL ID
CHEMBL4225046
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 > 30000 nM
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