General Information of the Compound
Compound ID
CP0383141
Compound Name
5-chloro-N-(3-chlorobenzyl)pyrazolo[1,5-a]pyrimidin-7-amine
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Structure
Formula
C13H10Cl2N4
Molecular Weight
293.157
Canonical SMILES
Clc1cccc(CNc2cc(Cl)nc3ccnn23)c1
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InChI
InChI=1S/C13H10Cl2N4/c14-10-3-1-2-9(6-10)8-16-13-7-11(15)18-12-4-5-17-19(12)13/h1-7,16H,8H2
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InChIKey
DSNZCUDNWQGHLN-UHFFFAOYSA-N
Physicochemical Property
logP
3.6482
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
42.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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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PubChem ID
CID: 44589886
ChEMBL ID
CHEMBL469756
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: 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)  1
1
IC50 = 5200 nM
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