General Information of the Compound
Compound ID
CP0089052
Compound Name
3-(5-cyclopropyl-1,2-oxazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
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Structure
Formula
C11H10N6O
Molecular Weight
242.242
Canonical SMILES
Nc1ncnc2[nH]nc(-c3cc(on3)C3CC3)c12
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InChI
InChI=1S/C11H10N6O/c12-10-8-9(15-16-11(8)14-4-13-10)6-3-7(18-17-6)5-1-2-5/h3-5H,1-2H2,(H3,12,13,14,15,16)
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InChIKey
RXSPIELJIFZXML-UHFFFAOYSA-N
Physicochemical Property
logP
1.4675
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
106.51
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
18

"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: 126592042
ChEMBL ID
CHEMBL3752879
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)  2
1
GI50 = 5340 nM
   TI
   LI
   LO
   TS
2
GI50 > 10000 nM
   TI
   LI
   LO
   TS
CL000425 TT Homo sapiens (Human)  1
1
GI50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 52 nM
2 IC50 = 354 nM