General Information of the Compound
| Compound ID |
CP0552045
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S)-3-acetamido-2-[(1R,2R)-3-(hexanoylamino)-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H28N2O8
|
||||||||||||||||||
| Molecular Weight |
388.417
|
||||||||||||||||||
| Canonical SMILES |
CCCCCC(=O)NC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H28N2O8/c1-3-4-5-6-13(23)18-8-11(22)15(24)16-14(19-9(2)20)10(21)7-12(27-16)17(25)26/h7,10-11,14-16,21-22,24H,3-6,8H2,1-2H3,(H,18,23)(H,19,20)(H,25,26)/t10-,11+,14+,15+,16+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WZROZUPFCCVDFF-IQVWLFHZSA-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