General Information of the Compound
Compound ID
CP0440760
Compound Name
5-(2-methylphenyl)-1H-indazole
    Show/Hide
Structure
Formula
C14H12N2
Molecular Weight
208.264
Canonical SMILES
Cc1ccccc1-c1ccc2[nH]ncc2c1
    Show/Hide
InChI
InChI=1S/C14H12N2/c1-10-4-2-3-5-13(10)11-6-7-14-12(8-11)9-15-16-14/h2-9H,1H3,(H,15,16)
    Show/Hide
InChIKey
KXZXNLHJKUDAQF-UHFFFAOYSA-N
Physicochemical Property
logP
3.53832
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
16

"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: 90645443
ChEMBL ID
CHEMBL3298238
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 = 7810 nM
   TI
   LI
   LO
   TS