General Information of the Compound
| Compound ID |
CP0435383
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(6aR)-11-acetyloxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23NO4
|
||||||||||||||||||
| Molecular Weight |
365.429
|
||||||||||||||||||
| Canonical SMILES |
CN1CCc2cccc-3c2[C@H]1Cc1cc(C)c(OC(C)=O)c(OC(C)=O)c-31
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23NO4/c1-12-10-16-11-18-19-15(8-9-23(18)4)6-5-7-17(19)20(16)22(27-14(3)25)21(12)26-13(2)24/h5-7,10,18H,8-9,11H2,1-4H3/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IYCVIMNLFPKSNJ-GOSISDBHSA-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