General Information of the Compound
| Compound ID |
CP0331390
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8575364, 4
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21NO2
|
||||||||||||||||||
| Molecular Weight |
283.371
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC1CNC1)-c1cccc(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21NO2/c1-12-5-4-6-16(13(12)2)14-7-8-17(20-3)18(9-14)21-15-10-19-11-15/h4-9,15,19H,10-11H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NAWOPMZRMVKONG-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