General Information of the Compound
| Compound ID |
CP0920445
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,6-Di-tert-butyl-4-(5-(piperidine-1-carbonothioyl)thiophen-2-yl)thiopyrylium Hexafluorophosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H32F6NPS3
|
||||||||||||||||||
| Molecular Weight |
563.679
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cc(-c2ccc(C(=S)N3CCCCC3)s2)cc(C(C)(C)C)[s+]1.F[P-](F)(F)(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H32NS3.F6P/c1-22(2,3)19-14-16(15-20(27-19)23(4,5)6)17-10-11-18(26-17)21(25)24-12-8-7-9-13-24;1-7(2,3,4,5)6/h10-11,14-15H,7-9,12-13H2,1-6H3;/q+1;-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AUDJZXIUWROOJM-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