General Information of the Compound
| Compound ID |
CP0425440
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] (2S,3R)-3-hydroxy-2-methyldecanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H32O5
|
||||||||||||||||||
| Molecular Weight |
316.438
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCC[C@@H](O)[C@H](C)C(=O)O[C@@H](C(C)C)C(=O)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H32O5/c1-6-7-8-9-10-11-14(18)13(4)16(19)22-15(12(2)3)17(20)21-5/h12-15,18H,6-11H2,1-5H3/t13-,14+,15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YHGSXGQBYCDWPQ-ZNMIVQPWSA-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