General Information of the Compound
| Compound ID |
CP0415121
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[4-(4-fluorophenyl)phenyl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26FNO2
|
||||||||||||||||||
| Molecular Weight |
391.486
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CCN(CCc3ccc(cc3)-c3ccc(F)cc3)Cc2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26FNO2/c1-28-24-15-21-12-14-27(17-22(21)16-25(24)29-2)13-11-18-3-5-19(6-4-18)20-7-9-23(26)10-8-20/h3-10,15-16H,11-14,17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MMDFUOTUTNSXLN-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