General Information of the Compound
| Compound ID |
CP0459876
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8575364, 63
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21NO
|
||||||||||||||||||
| Molecular Weight |
267.372
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C)cc1-c1ccccc1C1CCNC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21NO/c1-13-7-8-18(20-2)17(11-13)16-6-4-3-5-15(16)14-9-10-19-12-14/h3-8,11,14,19H,9-10,12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DRGLQNFNSBWPIY-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