General Information of the Compound
Compound ID
CP0395903
Compound Name
6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
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Structure
Formula
C15H8F6N2O
Molecular Weight
346.23
Canonical SMILES
FC(F)(F)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
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InChI
InChI=1S/C15H8F6N2O/c16-14(17,18)11-4-2-1-3-9(11)10-5-8-7-22-23-12(8)6-13(10)24-15(19,20)21/h1-7H,(H,22,23)
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InChIKey
XOQQYLAKAJMBHH-UHFFFAOYSA-N
Physicochemical Property
logP
5.1473
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
37.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 90645470
ChEMBL ID
CHEMBL3299024
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 = 36 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 = 254 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 = 627 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 = 6400 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 = 11500 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