General Information of the Compound
| Compound ID |
CP0115217
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[(3R,9aS)-8-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-3-yl]-3,4-dihydroisochromen-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N6O4
|
||||||||||||||||||
| Molecular Weight |
474.521
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N6O4/c32-24(11-17-1-4-20(5-2-17)31-16-26-27-28-31)30-9-8-29-14-23(35-15-21(29)13-30)19-3-6-22-18(12-19)7-10-34-25(22)33/h1-6,12,16,21,23H,7-11,13-15H2/t21-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFQWATOLXFYQBB-GMAHTHKFSA-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