General Information of the Compound
| Compound ID |
CP0375907
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-ethyl-N-[[5-fluoro-1-(3-methylbut-2-enyl)indol-3-yl]methyl]ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H25FN2
|
||||||||||||||||||
| Molecular Weight |
288.41
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)Cc1cn(CC=C(C)C)c2ccc(F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H25FN2/c1-5-20(6-2)12-15-13-21(10-9-14(3)4)18-8-7-16(19)11-17(15)18/h7-9,11,13H,5-6,10,12H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NLMVYAVSGYCVBC-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