General Information of the Compound
Compound ID
CP0243878
Compound Name
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Structure
Formula
C17H13ClN6O
Molecular Weight
352.785
Canonical SMILES
Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1cccc(Cl)c1
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InChI
InChI=1S/C17H13ClN6O/c1-11-8-15(24(22-11)13-5-2-4-12(18)9-13)21-17(25)14-10-20-23-7-3-6-19-16(14)23/h2-10H,1H3,(H,21,25)
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InChIKey
YLBXBHSEZZNJPX-UHFFFAOYSA-N
Physicochemical Property
logP
3.12912
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
77.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 70496411
SID: 163501763
ChEMBL ID
CHEMBL2178806
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
CL000224 SET-2 Homo sapiens (Human)  1
1
IC50 = 1100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 11.9 nM