General Information of the Compound
| Compound ID |
CP0435621
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,6R,8S,9R,11S,12R,13S,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecan-9-yl trifluoromethanesulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23F3O13S
|
||||||||||||||||||
| Molecular Weight |
572.463
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5OC(=O)[C@@]3(OC3OC(=O)[C@H](O)C43[C@@H]([C@H]5OS(=O)(=O)C(F)(F)F)C(C)(C)C)[C@@]12O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23F3O13S/c1-5-12(27)33-11-8(25)18-10-6(37-38(31,32)21(22,23)24)7(16(2,3)4)17(18)9(26)13(28)35-15(17)36-20(18,14(29)34-10)19(5,11)30/h5-11,15,25-26,30H,1-4H3/t5-,6-,7+,8+,9+,10?,11+,15?,17?,18+,19-,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SGRKMMKNGLCBFP-FOIUPXKISA-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
Protein ID: PT05068, Glycine receptor subunit alpha-1
Protein ID: PT06069, Glycine receptor subunit alpha-2