General Information of the Compound
| Compound ID |
CP0353741
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(benzenesulfinyl)-4-[2-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenoxy]ethoxy]-1,2,5-oxadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H33N3O6S
|
||||||||||||||||||
| Molecular Weight |
611.72
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CCN(Cc3ccc(cc3)-c3ccc(OCCOc4nonc4[S+]([O-])c4ccccc4)cc3)Cc2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H33N3O6S/c1-39-31-20-27-16-17-37(23-28(27)21-32(31)40-2)22-24-8-10-25(11-9-24)26-12-14-29(15-13-26)41-18-19-42-33-34(36-43-35-33)44(38)30-6-4-3-5-7-30/h3-15,20-21H,16-19,22-23H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZNYYHYCVVJWSNX-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