General Information of the Compound
| Compound ID |
CP0483681
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9000044, 37
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22ClNO4S
|
||||||||||||||||||
| Molecular Weight |
431.941
|
||||||||||||||||||
| Canonical SMILES |
CC(C)NS(=O)(=O)c1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(Cl)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22ClNO4S/c1-13(2)24-29(27,28)19-8-5-15(6-9-19)22-14(3)17(11-21(25)26)10-16-4-7-18(23)12-20(16)22/h4-10,12-13,24H,11H2,1-3H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGYSHYNPQBVCRE-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