General Information of the Compound
| Compound ID |
CP0572752
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[1-(4-fluorophenyl)indol-3-yl]-N-[(4-methoxyphenyl)methyl]butan-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27FN2O
|
||||||||||||||||||
| Molecular Weight |
402.513
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27FN2O/c1-30-24-15-9-20(10-16-24)18-28-17-5-4-6-21-19-29(23-13-11-22(27)12-14-23)26-8-3-2-7-25(21)26/h2-3,7-16,19,28H,4-6,17-18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IJLLPMWYMDZZLL-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