General Information of the Compound
| Compound ID |
CP0708598
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-1-(benzo[d]oxazol-2-ylmethyl)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-azoniabicyclo[2.2.2]octane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H35N2O3+
|
||||||||||||||||||
| Molecular Weight |
447.599
|
||||||||||||||||||
| Canonical SMILES |
O=C(O[C@H]1C[N+]2(Cc3nc4ccccc4o3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H35N2O3/c31-27(28(22-9-3-4-10-22)15-7-1-2-8-16-28)33-25-19-30(17-13-21(25)14-18-30)20-26-29-23-11-5-6-12-24(23)32-26/h3-6,9,11-12,21,25H,1-2,7-8,10,13-20H2/q+1/t21?,25-,30?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RTDHONVBKUIQIL-NRFUFCHMSA-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