General Information of the Compound
| Compound ID |
CP0382338
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(2-ethyl-2-methyl-3H-1-benzofuran-7-yl)oxy]ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31NO2
|
||||||||||||||||||
| Molecular Weight |
377.528
|
||||||||||||||||||
| Canonical SMILES |
CCC1(C)Cc2cccc(OCCNCc3cccc(c3)C3=CCCC3)c2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31NO2/c1-3-25(2)17-22-12-7-13-23(24(22)28-25)27-15-14-26-18-19-8-6-11-21(16-19)20-9-4-5-10-20/h6-9,11-13,16,26H,3-5,10,14-15,17-18H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBGGWGMORHRQSH-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