General Information of the Compound
Compound ID
CP0258259
Compound Name
5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
    Show/Hide
Formula
C18H23F3N4O2
Molecular Weight
384.402
Canonical SMILES
CC(C)(CO)NC(=O)c1cc(n(n1)-c1ccc(cn1)C(F)(F)F)C(C)(C)C
    Show/Hide
InChI
InChI=1S/C18H23F3N4O2/c1-16(2,3)13-8-12(15(27)23-17(4,5)10-26)24-25(13)14-7-6-11(9-22-14)18(19,20)21/h6-9,26H,10H2,1-5H3,(H,23,27)
    Show/Hide
InChIKey
IIANDZHTDXIIKC-UHFFFAOYSA-N
Physicochemical Property
logP
3.0843
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
80.04
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
27

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
ChEMBL ID
CHEMBL4781051
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 = 1839 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 10.7 nM
   TI
   LI
   LO
   TS
2
EC50 = 561.6 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 15.2 nM
   TI
   LI
   LO
   TS