General Information of the Compound
| Compound ID |
CP0401233
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6aS)-1,2,10-trimethoxy-6-methyl-9-phenylmethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29NO4
|
||||||||||||||||||
| Molecular Weight |
431.532
|
||||||||||||||||||
| Canonical SMILES |
COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1OCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29NO4/c1-28-11-10-18-13-24(30-3)27(31-4)26-20-15-22(29-2)23(14-19(20)12-21(28)25(18)26)32-16-17-8-6-5-7-9-17/h5-9,13-15,21H,10-12,16H2,1-4H3/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPTMHCAFEUMSIV-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