General Information of the Compound
Compound ID
CP0885043
Compound Name
N-(5,7-dimethyl-2-(methylamino)-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
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Structure
Formula
C17H19N5O3S
Molecular Weight
373.438
Canonical SMILES
CNc1nn2c(C)c(NC(C)=O)c(C)nc2c1S(=O)(=O)c1ccccc1
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InChI
InChI=1S/C17H19N5O3S/c1-10-14(20-12(3)23)11(2)22-17(19-10)15(16(18-4)21-22)26(24,25)13-8-6-5-7-9-13/h5-9H,1-4H3,(H,18,21)(H,20,23)
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InChIKey
QLLNUHASVHLKNY-UHFFFAOYSA-N
Physicochemical Property
logP
2.17904
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
105.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 56849856
SID: 135381601
ChEMBL ID
CHEMBL1922631
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 = 4.677 nM
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