General Information of the Compound
Compound ID
CP0388337
Compound Name
N-benzyl-5-chloropyrazolo[1,5-a]pyrimidin-7-amine
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Structure
Formula
C13H11ClN4
Molecular Weight
258.712
Canonical SMILES
Clc1cc(NCc2ccccc2)n2nccc2n1
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InChI
InChI=1S/C13H11ClN4/c14-11-8-13(18-12(17-11)6-7-16-18)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2
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InChIKey
IFDHYEGUTZWRTK-UHFFFAOYSA-N
Physicochemical Property
logP
2.9948
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
42.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 44589880
ChEMBL ID
CHEMBL452406
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: PT04721, Small conductance calcium-activated potassium channel protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1190 nM
   TI
   LI
   LO
   TS
Protein ID: PT05865, Small conductance calcium-activated potassium channel protein 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1100 nM
   TI
   LI
   LO
   TS
Protein ID: PT04088, Small conductance calcium-activated potassium channel protein 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 1100 nM
   TI
   LI
   LO
   TS
2
IC50 = 1600 nM
   TI
   LI
   LO
   TS