General Information of the Compound
| Compound ID |
CP0504776
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6aS)-9-(cyclopropylmethoxy)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29NO4
|
||||||||||||||||||
| Molecular Weight |
395.499
|
||||||||||||||||||
| Canonical SMILES |
COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1OCC1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29NO4/c1-25-8-7-15-10-21(27-3)24(28-4)23-17-12-19(26-2)20(29-13-14-5-6-14)11-16(17)9-18(25)22(15)23/h10-12,14,18H,5-9,13H2,1-4H3/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RITKXTKLSSVWHN-SFHVURJKSA-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