General Information of the Compound
Compound ID
CP0532215
Compound Name
5-[(3R)-3-aminopiperidin-1-yl]-N-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
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Formula
C17H18Cl2N6
Molecular Weight
377.279
Canonical SMILES
N[C@@H]1CCCN(C1)c1cc(Nc2ccc(Cl)cc2Cl)n2nccc2n1
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InChI
InChI=1S/C17H18Cl2N6/c18-11-3-4-14(13(19)8-11)22-17-9-16(23-15-5-6-21-25(15)17)24-7-1-2-12(20)10-24/h3-6,8-9,12,22H,1-2,7,10,20H2/t12-/m1/s1
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InChIKey
QXDUFOFLHGZAQS-GFCCVEGCSA-N
Physicochemical Property
logP
3.7072
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
71.48
Hydrogen Bond Donor Count
2
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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ChEMBL ID
CHEMBL4753503
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 = 22200 nM
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