General Information of the Compound
Compound ID
CP0909285
Compound Name
N-(5-(3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-ylamino)-2-cyclopropyl-4-fluorophenyl)acetamide
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Structure
Formula
C21H20FN7O
Molecular Weight
405.437
Canonical SMILES
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c(F)cc1C1CC1
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InChI
InChI=1S/C21H20FN7O/c1-11(30)25-17-7-18(16(22)6-15(17)12-2-3-12)27-19-8-20(26-14-4-5-14)29-21(28-19)13(9-23)10-24-29/h6-8,10,12,14,26H,2-5H2,1H3,(H,25,30)(H,27,28)
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InChIKey
CHUOPMMSYZADNG-UHFFFAOYSA-N
Physicochemical Property
logP
3.89378
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
107.14
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
30

"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: 72163927
ChEMBL ID
CHEMBL2409179
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 < 3 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
GI50 = 12 nM
   TI
   LI
   LO
   TS