General Information of the Compound
| Compound ID |
CP0472550
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4aS,5R,10bS)-9-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H33NO2
|
||||||||||||||||||
| Molecular Weight |
343.511
|
||||||||||||||||||
| Canonical SMILES |
CCCCOc1ccc2N[C@H](C3CCCCC3)[C@@H]3CCCO[C@@H]3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H33NO2/c1-2-3-13-24-17-11-12-20-19(15-17)22-18(10-7-14-25-22)21(23-20)16-8-5-4-6-9-16/h11-12,15-16,18,21-23H,2-10,13-14H2,1H3/t18-,21+,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMZCCWJZQIMXOB-BWAGFHJFSA-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