General Information of the Compound
Compound ID
CP0573424
Compound Name
2-(6-fluoro-1H-indazol-3-yl)aniline
    Show/Hide
Formula
C13H10FN3
Molecular Weight
227.242
Canonical SMILES
Nc1ccccc1-c1n[nH]c2cc(F)ccc12
    Show/Hide
InChI
InChI=1S/C13H10FN3/c14-8-5-6-10-12(7-8)16-17-13(10)9-3-1-2-4-11(9)15/h1-7H,15H2,(H,16,17)
    Show/Hide
InChIKey
PCBFSKZQVLNGJQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.9512
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
54.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
17

"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
ChEMBL ID
CHEMBL4847022
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: PT02266, Dual specificity mitogen-activated protein kinase kinase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 80000 nM
   TI
   LI
   LO
   TS