General Information of the Compound
| Compound ID |
CP0829284
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-(2-(3-fluorophenylamino)-2-oxoethyl)-1-azoniabicyclo[2.2.2]octane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36FN2O3+
|
||||||||||||||||||
| Molecular Weight |
467.605
|
||||||||||||||||||
| Canonical SMILES |
O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C1(C3=CC=CC3)CCCCCC1)C2)Nc1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H35FN2O3/c29-23-10-7-11-24(18-23)30-26(32)20-31-16-12-21(13-17-31)25(19-31)34-27(33)28(22-8-3-4-9-22)14-5-1-2-6-15-28/h3-4,7-8,10-11,18,21,25H,1-2,5-6,9,12-17,19-20H2/p+1/t21?,25-,31?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZRHXKKPEYUNNBL-JBXYENHNSA-O
|
||||||||||||||||||
| 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