General Information of the Compound
Compound ID
CP0510839
Compound Name
N-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[3-(dimethylamino)propyl-methylamino]phenyl]acetamide
    Show/Hide
Structure
Formula
C24H31N9O
Molecular Weight
461.574
Canonical SMILES
CN(C)CCCN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
    Show/Hide
InChI
InChI=1S/C24H31N9O/c1-16(34)27-20-12-19(8-9-21(20)32(4)11-5-10-31(2)3)28-22-13-23(29-18-6-7-18)33-24(30-22)17(14-25)15-26-33/h8-9,12-13,15,18,29H,5-7,10-11H2,1-4H3,(H,27,34)(H,28,30)
    Show/Hide
InChIKey
CFEUTQZAQQUKNE-UHFFFAOYSA-N
Physicochemical Property
logP
3.26518
Rotatable Bonds
10
Heavy Atom Count
34
Polar Areas
113.62
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
9
Complexity
34

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 127045536
ChEMBL ID
CHEMBL3810318
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 = 6 nM
   TI
   LI
   LO
   TS