General Information of the Compound
| Compound ID |
CP0341916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1,3-benzodioxol-4-yloxy)-N-[[3-(cyclopenten-1-yl)phenyl]methyl]ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23NO3
|
||||||||||||||||||
| Molecular Weight |
337.419
|
||||||||||||||||||
| Canonical SMILES |
C(COc1cccc2OCOc12)NCc1cccc(c1)C1=CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23NO3/c1-2-7-17(6-1)18-8-3-5-16(13-18)14-22-11-12-23-19-9-4-10-20-21(19)25-15-24-20/h3-6,8-10,13,22H,1-2,7,11-12,14-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
SHOKZDRFBVVMHZ-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