General Information of the Compound
| Compound ID |
CP0572592
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,11S,11aS)-11-(7-methoxy-1,3-benzodioxol-5-yl)-3-(1-phenylethenyl)-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26N2O4
|
||||||||||||||||||
| Molecular Weight |
454.526
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc2OCOc12)[C@@H]1[C@H]2CN[C@H](CN2C(=O)c2ccccc12)C(=C)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26N2O4/c1-17(18-8-4-3-5-9-18)22-15-30-23(14-29-22)26(20-10-6-7-11-21(20)28(30)31)19-12-24(32-2)27-25(13-19)33-16-34-27/h3-13,22-23,26,29H,1,14-16H2,2H3/t22-,23-,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YDOPEPYTRAZEFR-PLXFJCCSSA-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 | |||||||||||||||||||
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