General Information of the Compound
| Compound ID |
CP0536023
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1S,2R,6S,8S,11S,12S,15S,16S)-2,16-dimethyl-4-methylsulfonyl-5-oxo-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-15-yl] acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H32O6S
|
||||||||||||||||||
| Molecular Weight |
424.559
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4C(=O)C(C[C@]5(C)[C@H]3CC[C@]12C)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H32O6S/c1-12(23)27-17-6-5-14-13-7-10-22-19(28-22)18(24)16(29(4,25)26)11-21(22,3)15(13)8-9-20(14,17)2/h13-17,19H,5-11H2,1-4H3/t13-,14-,15-,16?,17-,19+,20-,21+,22+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GCWPVJGTBSGAHN-KHTZXAGISA-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