General Information of the Compound
| Compound ID |
CP0571947
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8R,10aS,11R)-9-acetyl-8-benzoyl-11-(7-methoxy-1,3-benzodioxol-5-yl)-8,10,10a,11-tetrahydro-7H-pyrazino[1,2-g][1,6]naphthyridin-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25N3O6
|
||||||||||||||||||
| Molecular Weight |
499.523
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc2OCOc12)[C@@H]1[C@H]2CN([C@H](CN2C(=O)c2cccnc12)C(=O)c1ccccc1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25N3O6/c1-16(32)30-13-20-24(18-11-22(35-2)27-23(12-18)36-15-37-27)25-19(9-6-10-29-25)28(34)31(20)14-21(30)26(33)17-7-4-3-5-8-17/h3-12,20-21,24H,13-15H2,1-2H3/t20-,21-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YTRVQLIKOYPSDZ-PQNGQFLHSA-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