General Information of the Compound
| Compound ID |
CP0472572
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6,7-dimethoxy-2-[(5-naphthalen-2-ylfuran-2-yl)methyl]-3,4-dihydro-1H-isoquinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25NO3
|
||||||||||||||||||
| Molecular Weight |
399.49
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CCN(Cc3ccc(o3)-c3ccc4ccccc4c3)Cc2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25NO3/c1-28-25-14-20-11-12-27(16-22(20)15-26(25)29-2)17-23-9-10-24(30-23)21-8-7-18-5-3-4-6-19(18)13-21/h3-10,13-15H,11-12,16-17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NJQLMRHQZPCZQN-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02516, Multidrug resistance-associated protein 1