General Information of the Compound
| Compound ID |
CP0881240
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-Benzylphenoxy)-N-methylpropan-1-amine Fumarate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25NO5
|
||||||||||||||||||
| Molecular Weight |
371.433
|
||||||||||||||||||
| Canonical SMILES |
CNCCCOc1ccccc1Cc1ccccc1.O=C(O)/C=C/C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21NO.C4H4O4/c1-18-12-7-13-19-17-11-6-5-10-16(17)14-15-8-3-2-4-9-15;5-3(6)1-2-4(7)8/h2-6,8-11,18H,7,12-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ODOGEOOQRLTNEO-WLHGVMLRSA-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