General Information of the Compound
| Compound ID |
CP0567464
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (E)-2-[(2S,3R,7aR,12bR)-3-ethenyl-7a-hydroxy-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N2O4
|
||||||||||||||||||
| Molecular Weight |
382.46
|
||||||||||||||||||
| Canonical SMILES |
CO\C=C(/[C@H]1C[C@H]2N(CC[C@]3(O)C2=Nc2ccccc32)C[C@@H]1C=C)C(=O)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N2O4/c1-4-14-12-24-10-9-22(26)17-7-5-6-8-18(17)23-20(22)19(24)11-15(14)16(13-27-2)21(25)28-3/h4-8,13-15,19,26H,1,9-12H2,2-3H3/b16-13+/t14-,15-,19+,22+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AWIMFNRKWCFEBE-BRSGZFOASA-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