General Information of the Compound
| Compound ID |
CP0561960
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9447114, 22
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25F3N2O5S
|
||||||||||||||||||
| Molecular Weight |
486.512
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CC(O)c1c(sc2n(C)c(=O)n(CCCO)c(=O)c12)-c1cccc(OC(F)(F)F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25F3N2O5S/c1-12(2)10-15(29)16-17-19(30)27(8-5-9-28)21(31)26(3)20(17)33-18(16)13-6-4-7-14(11-13)32-22(23,24)25/h4,6-7,11-12,15,28-29H,5,8-10H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WRFTWLQYABWWDP-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