General Information of the Compound
Compound ID
CP0499258
Compound Name
5-[2-(difluoromethyl)phenyl]-1H-indazole
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Structure
Formula
C14H10F2N2
Molecular Weight
244.244
Canonical SMILES
FC(F)c1ccccc1-c1ccc2[nH]ncc2c1
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InChI
InChI=1S/C14H10F2N2/c15-14(16)12-4-2-1-3-11(12)9-5-6-13-10(7-9)8-17-18-13/h1-8,14H,(H,17,18)
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InChIKey
BMPXPBSETVIDSP-UHFFFAOYSA-N
Physicochemical Property
logP
4.1675
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
18

"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: 90645448
ChEMBL ID
CHEMBL3298243
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 = 2200 nM
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