General Information of the Compound
Compound ID
CP0575427
Compound Name
4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
    Show/Hide
Structure
Formula
C17H20N6O
Molecular Weight
324.388
Canonical SMILES
CN(C)CCNc1ccn2ncc(-c3ccc(cc3)C(N)=O)c2n1
    Show/Hide
InChI
InChI=1S/C17H20N6O/c1-22(2)10-8-19-15-7-9-23-17(21-15)14(11-20-23)12-3-5-13(6-4-12)16(18)24/h3-7,9,11H,8,10H2,1-2H3,(H2,18,24)(H,19,21)
    Show/Hide
InChIKey
UJMLZLMHAPTWPV-UHFFFAOYSA-N
Physicochemical Property
logP
1.4687
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
88.55
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 155526266
ChEMBL ID
CHEMBL4457706
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: PT00951, Proto-oncogene tyrosine-protein kinase receptor Ret
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 350 nM