General Information of the Compound
Compound ID
CP0156701
Compound Name
1-cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
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Structure
Formula
C17H20N6O
Molecular Weight
324.388
Canonical SMILES
Nc1ncnc2n(nc(-c3cc(on3)C3CC3)c12)C1CCCCC1
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InChI
InChI=1S/C17H20N6O/c18-16-14-15(12-8-13(24-22-12)10-6-7-10)21-23(17(14)20-9-19-16)11-4-2-1-3-5-11/h8-11H,1-7H2,(H2,18,19,20)
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InChIKey
URHCJSWLNCXUMX-UHFFFAOYSA-N
Physicochemical Property
logP
3.4461
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
95.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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).

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PubChem ID
CID: 126591922
ChEMBL ID
CHEMBL3753512
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
CL000425 TT Homo sapiens (Human)  1
1
GI50 = 290 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  2
1
GI50 = 520 nM
   TI
   LI
   LO
   TS
2
GI50 = 2000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2 nM
2 IC50 = 14 nM