General Information of the Compound
| Compound ID |
CP0538869
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-hydroxy-3-[4-[(4-oxo-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-12-yl)methyl]phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25N3O3
|
||||||||||||||||||
| Molecular Weight |
415.493
|
||||||||||||||||||
| Canonical SMILES |
ONC(=O)\C=C\c1ccc(Cn2c3C4CCCC(=O)N4CCc3c3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N3O3/c29-23(26-31)13-12-17-8-10-18(11-9-17)16-28-21-5-2-1-4-19(21)20-14-15-27-22(25(20)28)6-3-7-24(27)30/h1-2,4-5,8-13,22,31H,3,6-7,14-16H2,(H,26,29)/b13-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
XIEDZYSMTIAQIH-OUKQBFOZSA-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