General Information of the Compound
| Compound ID |
CP0876484
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,6-Di-tert-butyl-4-(2-(N,N-diethylaminocarbonyl)phenyl)-thiopyrylium Hexafluorophosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H34F6NOPS
|
||||||||||||||||||
| Molecular Weight |
529.571
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C(=O)c1ccccc1-c1cc(C(C)(C)C)[s+]c(C(C)(C)C)c1.F[P-](F)(F)(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H34NOS.F6P/c1-9-25(10-2)22(26)19-14-12-11-13-18(19)17-15-20(23(3,4)5)27-21(16-17)24(6,7)8;1-7(2,3,4,5)6/h11-16H,9-10H2,1-8H3;/q+1;-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MYFJYTKHIXWVOR-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