General Information of the Compound
Compound ID
CP0381513
Compound Name
3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
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Structure
Formula
C14H14N4O2S
Molecular Weight
302.359
Canonical SMILES
CNc1nn2ccc(C)nc2c1S(=O)(=O)c1ccccc1
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InChI
InChI=1S/C14H14N4O2S/c1-10-8-9-18-14(16-10)12(13(15-2)17-18)21(19,20)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,15,17)
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InChIKey
LLRSKWJLJFTWMG-UHFFFAOYSA-N
Physicochemical Property
logP
1.91222
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
76.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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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PubChem ID
CID: 53324896
ChEMBL ID
CHEMBL1668585
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 16 nM
   TI
   LI
   LO
   TS
2
Ki = 1.445 nM
   TI
   LI
   LO
   TS