General Information of the Compound
Compound ID
CP0557918
Compound Name
5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine
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Formula
C14H23N5
Molecular Weight
261.373
Canonical SMILES
CC(C)(C)Nc1cc(NC(C)(C)C)n2nccc2n1
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InChI
InChI=1S/C14H23N5/c1-13(2,3)17-10-9-12(18-14(4,5)6)19-11(16-10)7-8-15-19/h7-9,18H,1-6H3,(H,16,17)
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InChIKey
NXPGWTWBYSRVND-UHFFFAOYSA-N
Physicochemical Property
logP
3.1501
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
54.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
19

"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
CHEMBL4799877
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
   TI
   LI
   LO
   TS