General Information of the Compound
| Compound ID |
CP0209308
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-(1-benzyl-azetidin-3-yl)-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28N4O4
|
||||||||||||||||||
| Molecular Weight |
520.589
|
||||||||||||||||||
| Canonical SMILES |
O=C1CN(C2CN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28N4O4/c36-28-17-34(21-15-33(16-21)14-19-6-2-1-3-7-19)31(37)25-13-23-22-8-4-5-9-24(22)32-29(23)30(35(25)28)20-10-11-26-27(12-20)39-18-38-26/h1-12,21,25,30,32H,13-18H2/t25-,30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MULHHQYCMOKVQR-FYBSXPHGSA-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