General Information of the Compound
Compound ID
CP0563720
Compound Name
4-phenyl-6-(trifluoromethyl)-1H-indazole
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Structure
Formula
C14H9F3N2
Molecular Weight
262.234
Canonical SMILES
FC(F)(F)c1cc(-c2ccccc2)c2cn[nH]c2c1
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InChI
InChI=1S/C14H9F3N2/c15-14(16,17)10-6-11(9-4-2-1-3-5-9)12-8-18-19-13(12)7-10/h1-8H,(H,18,19)
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InChIKey
ORZCBQVVROFUNM-UHFFFAOYSA-N
Physicochemical Property
logP
4.2487
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
19

"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: 71735205
ChEMBL ID
CHEMBL3798509
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: PT00973, Methionine aminopeptidase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 20 nM
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