General Information of the Compound
| Compound ID |
CP0407390
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-ethyl-N-[(7-fluoro-1-octylindol-3-yl)methyl]ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H33FN2
|
||||||||||||||||||
| Molecular Weight |
332.507
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCn1cc(CN(CC)CC)c2cccc(F)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H33FN2/c1-4-7-8-9-10-11-15-24-17-18(16-23(5-2)6-3)19-13-12-14-20(22)21(19)24/h12-14,17H,4-11,15-16H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DLJQATCQEVIDLU-UHFFFAOYSA-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