General Information of the Compound
| Compound ID |
CP0543631
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4aS,5S,10bS)-9-(3-chlorophenoxy)-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28ClNO2
|
||||||||||||||||||
| Molecular Weight |
397.946
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(Oc2ccc3N[C@@H](C4CCCCC4)[C@@H]4CCCO[C@@H]4c3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28ClNO2/c25-17-8-4-9-18(14-17)28-19-11-12-22-21(15-19)24-20(10-5-13-27-24)23(26-22)16-6-2-1-3-7-16/h4,8-9,11-12,14-16,20,23-24,26H,1-3,5-7,10,13H2/t20-,23-,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLEKFRQTEXBWSB-OYDLWJJNSA-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