General Information of the Compound
Compound ID
CP0566500
Compound Name
N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-6-yl]acetamide
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Structure
Formula
C21H19N7O
Molecular Weight
385.431
Canonical SMILES
CC(=O)Nc1cc2n(ccc2cc1C)-c1cc(NC2CC2)n2ncc(C#N)c2n1
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InChI
InChI=1S/C21H19N7O/c1-12-7-14-5-6-27(18(14)8-17(12)24-13(2)29)19-9-20(25-16-3-4-16)28-21(26-19)15(10-22)11-23-28/h5-9,11,16,25H,3-4H2,1-2H3,(H,24,29)
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InChIKey
VTLVHYIODZODFB-UHFFFAOYSA-N
Physicochemical Property
logP
3.386
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
100.04
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
29

"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: 70688569
ChEMBL ID
CHEMBL2062569
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 = 79 nM
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