General Information of the Compound
| Compound ID |
CP0290920
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(benzenesulfonyl)-5-propan-2-ylsulfonyl-2-thiophen-2-yl-1,3-oxazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15NO5S3
|
||||||||||||||||||
| Molecular Weight |
397.499
|
||||||||||||||||||
| Canonical SMILES |
CC(C)S(=O)(=O)c1oc(nc1S(=O)(=O)c1ccccc1)-c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15NO5S3/c1-11(2)24(18,19)16-15(17-14(22-16)13-9-6-10-23-13)25(20,21)12-7-4-3-5-8-12/h3-11H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKBCUTIIQSZOAE-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