General Information of the Compound
| Compound ID |
CP0850238
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-Chloro-phenyl)-1-(4,4-diphenyl-butyl)-4-hydroxy-1-methyl-piperidinium iodide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33ClINO
|
||||||||||||||||||
| Molecular Weight |
561.935
|
||||||||||||||||||
| Canonical SMILES |
C[N+]1(CCCC(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33ClNO.HI/c1-30(21-18-28(31,19-22-30)25-14-16-26(29)17-15-25)20-8-13-27(23-9-4-2-5-10-23)24-11-6-3-7-12-24;/h2-7,9-12,14-17,27,31H,8,13,18-22H2,1H3;1H/q+1;/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMBCQJUCJZOCAQ-UHFFFAOYSA-M
|
||||||||||||||||||
| 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