General Information of the Compound
| Compound ID |
CP0515179
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(9Z,12Z,15Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12,15-trienamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H40N2O2
|
||||||||||||||||||
| Molecular Weight |
436.64
|
||||||||||||||||||
| Canonical SMILES |
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)29-21-20-24-23-30-27-19-18-25(31)22-26(24)27/h3-4,6-7,9-10,18-19,22-23,30-31H,2,5,8,11-17,20-21H2,1H3,(H,29,32)/b4-3-,7-6-,10-9-
Show/Hide
|
||||||||||||||||||
| InChIKey |
MAFMPVLBSWXLHL-PDBXOOCHSA-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