General Information of the Compound
| Compound ID |
CP0378656
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H44N2O3
|
||||||||||||||||||
| Molecular Weight |
492.704
|
||||||||||||||||||
| Canonical SMILES |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(=O)NCCc1c[nH]c2ccc(O)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-36-31(35)32-23-22-27-26-33-30-21-20-28(34)25-29(27)30/h6-7,9-10,12-13,15-16,20-21,25-26,33-34H,2-5,8,11,14,17-19,22-24H2,1H3,(H,32,35)/b7-6-,10-9-,13-12-,16-15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
IMSLJIUGZXXBQE-DOFZRALJSA-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