General Information of the Compound
Compound ID
CP0508752
Compound Name
N-[3-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide
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Structure
Formula
C18H17N7O
Molecular Weight
347.382
Canonical SMILES
CC(=O)Nc1cccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c1
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InChI
InChI=1S/C18H17N7O/c1-11(26)21-14-3-2-4-15(7-14)22-16-8-17(23-13-5-6-13)25-18(24-16)12(9-19)10-20-25/h2-4,7-8,10,13,23H,5-6H2,1H3,(H,21,26)(H,22,24)
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InChIKey
HSBIXXNGKLUEIP-UHFFFAOYSA-N
Physicochemical Property
logP
2.87728
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
107.14
Hydrogen Bond Donor Count
3
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: 127045382
ChEMBL ID
CHEMBL3808764
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 = 9 nM
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