General Information of the Compound
| Compound ID |
CP0440282
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (E)-2-[(2R,3R,5R,12bR)-3-ethyl-5-oxido-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-5-ium-2-yl]-3-methoxyprop-2-enoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28N2O4
|
||||||||||||||||||
| Molecular Weight |
384.476
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H]1C[N@+]2([O-])CCc3c([nH]c4ccccc34)[C@H]2C[C@H]1\C(=C/OC)C(=O)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28N2O4/c1-4-14-12-24(26)10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-27-2)22(25)28-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17+,20+,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NLSMUKLVXQHTTD-RLEIQMBXSA-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