General Information of the Compound
Compound ID
CP0667326
Compound Name
N-(3-(pyridin-4-yl)-1H-indazol-5-yl)ethenesulfonamide
    Show/Hide
Structure
Formula
C14H12N4O2S
Molecular Weight
300.343
Canonical SMILES
C=CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1
    Show/Hide
InChI
InChI=1S/C14H12N4O2S/c1-2-21(19,20)18-11-3-4-13-12(9-11)14(17-16-13)10-5-7-15-8-6-10/h2-9,18H,1H2,(H,16,17)
    Show/Hide
InChIKey
MIISUCGGVANLKC-UHFFFAOYSA-N
Physicochemical Property
logP
2.5101
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
87.74
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 122181355
ChEMBL ID
CHEMBL3590110
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: PT00850, Mitogen-activated protein kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000045 A-375 Homo sapiens (Human)  1
1
IC50 = 120 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7.5 nM
2 IC50 = 17 nM