General Information of the Compound
| Compound ID |
CP0574391
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S,5aS,8R)-8-benzoyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-5,5a,6,7,8,9-hexahydropyrazino[2,1-g][1,7]naphthyridin-11-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23N3O5
|
||||||||||||||||||
| Molecular Weight |
457.486
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc2OCOc12)[C@@H]1[C@H]2CN[C@H](CN2C(=O)c2ncccc12)C(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23N3O5/c1-32-20-10-16(11-21-25(20)34-14-33-21)22-17-8-5-9-27-23(17)26(31)29-13-18(28-12-19(22)29)24(30)15-6-3-2-4-7-15/h2-11,18-19,22,28H,12-14H2,1H3/t18-,19-,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBMKQSRDIGBNCO-KNKQGSTJSA-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