General Information of the Compound
Compound ID
CP0283874
Compound Name
(R)-3-(6-(2,3-dihydro-1H-inden-1-ylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
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Structure
Formula
C19H17N7
Molecular Weight
343.394
Canonical SMILES
Nc1nn2cccnc2c1-c1cc(N[C@@H]2CCc3ccccc23)ncn1
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InChI
InChI=1S/C19H17N7/c20-18-17(19-21-8-3-9-26(19)25-18)15-10-16(23-11-22-15)24-14-7-6-12-4-1-2-5-13(12)14/h1-5,8-11,14H,6-7H2,(H2,20,25)(H,22,23,24)/t14-/m1/s1
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InChIKey
XILUZFJBSJGJSN-CQSZACIVSA-N
Physicochemical Property
logP
2.8679
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
94.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 44158886
SID: 85158998
ChEMBL ID
CHEMBL570229
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: PT01214, Tyrosine-protein kinase JAK2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000128 TF-1 Homo sapiens (Human)  1
1
IC50 = 19000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 11 nM
Protein ID: PT00892, Tyrosine-protein kinase JAK3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000129 HT-2 Mus musculus (Mouse)  1
1
IC50 > 20000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 200 nM