General Information of the Compound
| Compound ID |
CP0478834
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-chloro-N-[2-[3-[[3-ethyl-4-(2-methylpropoxy)-2-oxocyclopent-3-en-1-yl]methyl]phenyl]ethyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32ClNO4S
|
||||||||||||||||||
| Molecular Weight |
490.065
|
||||||||||||||||||
| Canonical SMILES |
CCC1=C(CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O)OCC(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32ClNO4S/c1-4-24-25(32-17-18(2)3)16-21(26(24)29)15-20-7-5-6-19(14-20)12-13-28-33(30,31)23-10-8-22(27)9-11-23/h5-11,14,18,21,28H,4,12-13,15-17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PUALCUXULIBFJD-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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: PT04623, Thromboxane A2 receptor
Protein ID: PT01819, Thromboxane A2 receptor