General Information of the Compound
| Compound ID |
CP0486432
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6aS)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N4O4
|
||||||||||||||||||
| Molecular Weight |
448.523
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccc2N3CCCC[C@H]3C(=O)Nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N4O4/c30-24-21-3-1-2-8-29(21)20-6-5-18(14-19(20)26-24)25(31)28-11-9-27(10-12-28)15-17-4-7-22-23(13-17)33-16-32-22/h4-7,13-14,21H,1-3,8-12,15-16H2,(H,26,30)/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KEPOSYCXRSSGCJ-NRFANRHFSA-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