General Information of the Compound
Compound ID
CP0425379
Compound Name
N',4-diethyl-N-(3-methoxyphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
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Structure
Formula
C15H22N4O3S
Molecular Weight
338.433
Canonical SMILES
CCN=C(NS(=O)(=O)c1cccc(OC)c1)N1CC(CC)C=N1
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InChI
InChI=1S/C15H22N4O3S/c1-4-12-10-17-19(11-12)15(16-5-2)18-23(20,21)14-8-6-7-13(9-14)22-3/h6-10,12H,4-5,11H2,1-3H3,(H,16,18)
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InChIKey
QGNIIKFYMGOEGK-UHFFFAOYSA-N
Physicochemical Property
logP
1.677
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
83.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 56595670
SID: 134227541
ChEMBL ID
CHEMBL1834332
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Kd = 100 nM
   TI
   LI
   LO
   TS
2
Ki = 26.6 nM
   TI
   LI
   LO
   TS