General Information of the Compound
Compound ID
CP0440759
Compound Name
5-phenyl-1H-indazole
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Structure
Formula
C13H10N2
Molecular Weight
194.237
Canonical SMILES
c1n[nH]c2ccc(cc12)-c1ccccc1
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InChI
InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)
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InChIKey
JQHTYMOOIFVIJV-UHFFFAOYSA-N
Physicochemical Property
logP
3.2299
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
15

"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: 15240186
SID: 96094738
ChEMBL ID
CHEMBL3298236
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 > 30000 nM
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