General Information of the Compound
| Compound ID |
CP0533087
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-oxo-N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)phenoxy)piperidin-1-yl)ethyl)cyclohexyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonamide
Show/Hide
|
||||||||||||||||||
| Formula |
C28H34F3N3O5S
|
||||||||||||||||||
| Molecular Weight |
581.657
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(OC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3ccc4OCC(=O)Nc4c3)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34F3N3O5S/c29-28(30,31)20-2-1-3-23(16-20)39-22-11-14-34(15-12-22)13-10-19-4-6-21(7-5-19)33-40(36,37)24-8-9-26-25(17-24)32-27(35)18-38-26/h1-3,8-9,16-17,19,21-22,33H,4-7,10-15,18H2,(H,32,35)/t19-,21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRHGAKDMCLLJTM-XUTJKUGGSA-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 | |||||||||||||||||||
| 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