General Information of the Compound
Compound ID
CP0384558
Compound Name
N-(2-chlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
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Structure
Formula
C14H19ClN4O2S
Molecular Weight
342.852
Canonical SMILES
CCN=C(NS(=O)(=O)c1ccccc1Cl)N1CC(CC)C=N1
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InChI
InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-8-6-5-7-12(13)15/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)
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InChIKey
MVMXJZAAQMLRNG-UHFFFAOYSA-N
Physicochemical Property
logP
2.3218
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
74.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 24855787
SID: 50085033
ChEMBL ID
CHEMBL1834221
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 = 6.31 nM
   TI
   LI
   LO
   TS
2
Ki = 27.8 nM
   TI
   LI
   LO
   TS