General Information of the Compound
| Compound ID |
CP0110936
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[3-(cyclohepten-1-yl)phenyl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33NO2
|
||||||||||||||||||
| Molecular Weight |
379.544
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccccc1OCCNCc1cccc(c1)C1=CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33NO2/c1-20(2)28-25-15-8-7-14-24(25)27-17-16-26-19-21-10-9-13-23(18-21)22-11-5-3-4-6-12-22/h7-11,13-15,18,20,26H,3-6,12,16-17,19H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PSXLMQIRHAQLSY-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