General Information of the Compound
| Compound ID |
CP0172665
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenylprop-2-yn-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31NO2
|
||||||||||||||||||
| Molecular Weight |
353.506
|
||||||||||||||||||
| Canonical SMILES |
CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(C1CCCCC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31NO2/c1-26-22(18-24-16-12-19(22)13-17-24)14-15-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2,4-5,8-9,19,21,25H,3,6-7,10-13,16-18H2,1H3/t22-,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBKBVALDNMYEBZ-DHIUTWEWSA-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