General Information of the Compound
| Compound ID |
CP0554834
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-[4-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]naphthalen-1-yl]-2-oxoacetamide;2,2,2-trifluoroacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H40F3N3O9S
|
||||||||||||||||||
| Molecular Weight |
711.756
|
||||||||||||||||||
| Canonical SMILES |
[O-]C(=O)C(F)(F)F.COc1c(NC(=O)C(=O)c2ccc(OCC[N+]3(C)CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H39N3O7S.C2HF3O2/c1-31(2,3)21-19-25(29(39-5)26(20-21)33-42(6,37)38)32-30(36)28(35)24-11-12-27(23-10-8-7-9-22(23)24)41-18-15-34(4)13-16-40-17-14-34;3-2(4,5)1(6)7/h7-12,19-20,33H,13-18H2,1-6H3;(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZESQDLOFJPYKET-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