General Information of the Compound
Compound ID
CP0415481
Compound Name
4-Amino-N-(5-phenyl-isoxazol-3-yl)-benzenesulfonamide
    Show/Hide
Structure
Formula
C15H13N3O3S
Molecular Weight
315.354
Canonical SMILES
Nc1ccc(cc1)S(=O)(=O)Nc1cc(on1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C15H13N3O3S/c16-12-6-8-13(9-7-12)22(19,20)18-15-10-14(21-17-15)11-4-2-1-3-5-11/h1-10H,16H2,(H,17,18)
    Show/Hide
InChIKey
GELZTYZKNHMWFS-UHFFFAOYSA-N
Physicochemical Property
logP
2.7246
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
98.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10335844
SID: 15346766
ChEMBL ID
CHEMBL27135
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: PT01785, Endothelin-1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000139 A-10 Rattus norvegicus (Rat)  1
1
IC50 > 32000 nM
   TI
   LI
   LO
   TS