General Information of the Compound
Compound ID
CP0470572
Compound Name
7-(cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
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Structure
Formula
C14H11N5S
Molecular Weight
281.344
Canonical SMILES
N#Cc1cnn2c(NC3CC3)cc(nc12)-c1cccs1
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InChI
InChI=1S/C14H11N5S/c15-7-9-8-16-19-13(17-10-3-4-10)6-11(18-14(9)19)12-2-1-5-20-12/h1-2,5-6,8,10,17H,3-4H2
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InChIKey
STCOLNQHSDHOJI-UHFFFAOYSA-N
Physicochemical Property
logP
2.90378
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
66.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
20

"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: 70692773
ChEMBL ID
CHEMBL2062559
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 = 460 nM
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