General Information of the Compound
| Compound ID |
CP0558389
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methanone
Show/Hide
|
||||||||||||||||||
| Formula |
C23H20F3NO5
|
||||||||||||||||||
| Molecular Weight |
447.409
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CCN(Cc2cc1OC)C(=O)c1ccc(o1)-c1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20F3NO5/c1-29-20-11-15-9-10-27(13-16(15)12-21(20)30-2)22(28)19-8-7-18(31-19)14-3-5-17(6-4-14)32-23(24,25)26/h3-8,11-12H,9-10,13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZCQIPWHHPOQBCP-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 | |||||||||||||||||||
| 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