General Information of the Compound
Compound ID
CP0095170
Compound Name
3-(5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
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Structure
Formula
C15H15N3O3S
Molecular Weight
317.37
Canonical SMILES
CCOc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
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InChI
InChI=1S/C15H15N3O3S/c1-2-21-11-6-7-14-13(9-11)15(18-17-14)10-4-3-5-12(8-10)22(16,19)20/h3-9H,2H2,1H3,(H,17,18)(H2,16,19,20)
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InChIKey
XJNGZIGUKNHSJB-UHFFFAOYSA-N
Physicochemical Property
logP
2.276
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
98.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 71682141
ChEMBL ID
CHEMBL2380577
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: PT01348, Dual specificity protein kinase TTK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000897 RERF-LC-AI Tet-off Homo sapiens (Human)  1
1
IC50 = 2740 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 28 nM
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 > 20000 nM
   TI
   LI
   LO
   TS