General Information of the Compound
| Compound ID |
CP0112449
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4S,5S)-3-[(3-tert-butylphenyl)methylamino]-1,1-dioxo-5-[(3-propoxyphenyl)methyl]thian-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H37NO4S
|
||||||||||||||||||
| Molecular Weight |
459.652
|
||||||||||||||||||
| Canonical SMILES |
CCCOc1cccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H37NO4S/c1-5-12-31-23-11-7-8-19(15-23)13-21-17-32(29,30)18-24(25(21)28)27-16-20-9-6-10-22(14-20)26(2,3)4/h6-11,14-15,21,24-25,27-28H,5,12-13,16-18H2,1-4H3/t21-,24+,25+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
STRMYUPQAIUGMK-ZODMCCGTSA-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