General Information of the Compound
Compound ID
CP0399278
Compound Name
N-(5-tert-butyl-2-methylpyrazol-3-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
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Structure
Formula
C18H24ClN3O3S
Molecular Weight
397.928
Canonical SMILES
Cn1nc(cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C
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InChI
InChI=1S/C18H24ClN3O3S/c1-17(2,3)14-11-15(22(6)21-14)20-16(23)18(4,5)26(24,25)13-9-7-12(19)8-10-13/h7-11H,1-6H3,(H,20,23)
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InChIKey
YTVVUEHBECILFK-UHFFFAOYSA-N
Physicochemical Property
logP
3.562
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
81.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 25181481
SID: 57289066
ChEMBL ID
CHEMBL467029
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 2000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 25 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 = 26 nM
   TI
   LI
   LO
   TS