General Information of the Compound
Compound ID
CP0572953
Compound Name
5-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
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Formula
C13H15N7O
Molecular Weight
285.311
Canonical SMILES
C1CN(CCO1)c1cc(Nc2cc[nH]n2)n2nccc2n1
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InChI
InChI=1S/C13H15N7O/c1-3-14-18-10(1)16-13-9-12(19-5-7-21-8-6-19)17-11-2-4-15-20(11)13/h1-4,9H,5-8H2,(H2,14,16,18)
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InChIKey
WQOSPJWSJJMABW-UHFFFAOYSA-N
Physicochemical Property
logP
1.0326
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
83.37
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
21

"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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ChEMBL ID
CHEMBL4751103
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: PT00907, Dipeptidyl peptidase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000034 Caco-2 Homo sapiens (Human)  1
1
IC50 > 100000 nM
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