General Information of the Compound
| Compound ID |
CP0882149
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-tert-butyl-6-(4-(dimethylamino)phenyl)-4-phenylthiopyrylium hexafluorophosphate (V)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26F6NPS
|
||||||||||||||||||
| Molecular Weight |
493.497
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1ccc(-c2cc(-c3ccccc3)cc(C(C)(C)C)[s+]2)cc1.F[P-](F)(F)(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26NS.F6P/c1-23(2,3)22-16-19(17-9-7-6-8-10-17)15-21(25-22)18-11-13-20(14-12-18)24(4)5;1-7(2,3,4,5)6/h6-16H,1-5H3;/q+1;-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YQSYKQREIIDGHH-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