General Information of the Compound
| Compound ID |
CP0885010
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-15-Acetoxy-icosa-5,8,11,13-tetraenoic acid methyl ester (15(S)-OAc-20 : 4, Me)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H36O4
|
||||||||||||||||||
| Molecular Weight |
376.537
|
||||||||||||||||||
| Canonical SMILES |
CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)OC)OC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H36O4/c1-4-5-15-18-22(27-21(2)24)19-16-13-11-9-7-6-8-10-12-14-17-20-23(25)26-3/h6-7,10-13,16,19,22H,4-5,8-9,14-15,17-18,20H2,1-3H3/b7-6-,12-10-,13-11-,19-16+/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FNLWSCDJCANMJT-XWYIBKHPSA-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