General Information of the Compound
| Compound ID |
CP0173361
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25NO3
|
||||||||||||||||||
| Molecular Weight |
351.446
|
||||||||||||||||||
| Canonical SMILES |
C(COc1cccc2OCCOc12)NCc1cccc(c1)C1=CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25NO3/c1-2-7-18(6-1)19-8-3-5-17(15-19)16-23-11-12-24-20-9-4-10-21-22(20)26-14-13-25-21/h3-6,8-10,15,23H,1-2,7,11-14,16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTSYEFRBIUQVOF-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