General Information of the Compound
Compound ID
CP0756875
Compound Name
N2,N6,N6,5,7-pentamethyl-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidine-2,6-diamine
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Synonyms
AVN-492
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Structure
Formula
C17H21N5O2S
Molecular Weight
359.455
Canonical SMILES
CNc1nn2c(C)c(N(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1
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InChI
InChI=1S/C17H21N5O2S/c1-11-14(21(4)5)12(2)22-17(19-11)15(16(18-3)20-22)25(23,24)13-9-7-6-8-10-13/h6-10H,1-5H3,(H,18,20)
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InChIKey
SNPPEHMSSOEYDH-UHFFFAOYSA-N
Physicochemical Property
logP
2.28664
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
79.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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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PubChem ID
CID: 56655571
SID: 134432967
ChEMBL ID
CHEMBL1922632
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)  1
1
Ki = 0.2089 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( AVN-492 )
Drug Name AVN-492
Company Avineuro Pharmaceuticals Inc
Indication
Cognitive impairment
Investigative