General Information of the Compound
| Compound ID |
CP0578221
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-3-{[(9-Hydroxy-9H-xanthen-9-yl)carbonyl]oxy}-1-(2-phenylethyl)-1-azoniabicyclo[2.2.2]octane bromide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H30NO4+
|
||||||||||||||||||
| Molecular Weight |
456.562
|
||||||||||||||||||
| Canonical SMILES |
OC1(C(=O)O[C@H]2C[N+]3(CCc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30NO4/c31-28(29(32)23-10-4-6-12-25(23)33-26-13-7-5-11-24(26)29)34-27-20-30(18-15-22(27)16-19-30)17-14-21-8-2-1-3-9-21/h1-13,22,27,32H,14-20H2/q+1/t22?,27-,30?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZYZIHJMWCSZLEQ-AUSLDBMVSA-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