General Information of the Compound
Compound ID
CP0486359
Compound Name
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(propylamino)benzenesulfonamide
    Show/Hide
Structure
Formula
C14H19N3O3S
Molecular Weight
309.391
Canonical SMILES
CCCNc1cccc(c1)S(=O)(=O)Nc1onc(C)c1C
    Show/Hide
InChI
InChI=1S/C14H19N3O3S/c1-4-8-15-12-6-5-7-13(9-12)21(18,19)17-14-10(2)11(3)16-20-14/h5-7,9,15,17H,4,8H2,1-3H3
    Show/Hide
InChIKey
JZXYIXAHDHZBMH-UHFFFAOYSA-N
Physicochemical Property
logP
2.91414
Rotatable Bonds
6
Heavy Atom Count
21
Polar Areas
84.23
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 10086660
SID: 15073418
ChEMBL ID
CHEMBL281199
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 = 2100 nM
   TI
   LI
   LO
   TS