General Information of the Compound
| Compound ID |
CP0497836
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[1-methoxy-3-(octoxycarbonylamino)propan-2-yl] (Z)-octadec-9-enoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H59NO5
|
||||||||||||||||||
| Molecular Weight |
525.815
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCOC(=O)NCC(COC)OC(=O)CCCCCCC\C=C/CCCCCCCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H59NO5/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-23-25-30(33)37-29(28-35-3)27-32-31(34)36-26-24-22-11-9-7-5-2/h15-16,29H,4-14,17-28H2,1-3H3,(H,32,34)/b16-15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVYQOOYXUWCESK-NXVVXOECSA-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