General Information of the Compound
Compound ID
CP0440771
Compound Name
6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole
    Show/Hide
Structure
Formula
C14H8ClF3N2
Molecular Weight
296.679
Canonical SMILES
FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1Cl
    Show/Hide
InChI
InChI=1S/C14H8ClF3N2/c15-12-6-13-8(7-19-20-13)5-10(12)9-3-1-2-4-11(9)14(16,17)18/h1-7H,(H,19,20)
    Show/Hide
InChIKey
BIWXFLAZRBTWMI-UHFFFAOYSA-N
Physicochemical Property
logP
4.9021
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
20

"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
PubChem ID
CID: 90645459
ChEMBL ID
CHEMBL3298922
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: PT02149, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000308 T-REx-CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 24 nM
   TI
   LI
   LO
   TS
Protein ID: PT04242, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000308 T-REx-CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 94 nM
   TI
   LI
   LO
   TS
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000308 T-REx-CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 169 nM
   TI
   LI
   LO
   TS
Protein ID: PT03065, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 17100 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 16700 nM
   TI
   LI
   LO
   TS
Protein ID: PT04494, Transient receptor potential cation channel subfamily V member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS