General Information of the Compound
| Compound ID |
CP0916666
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
13-Ethyl-2,3,10-trimethoxy-9-(2-trifluoromethyl-benzyloxy)-5,6-dihydro-isoquino[3,2-a]isoquinolinylium iodide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H29F3INO4
|
||||||||||||||||||
| Molecular Weight |
651.463
|
||||||||||||||||||
| Canonical SMILES |
CCc1c2[n+](cc3c(OCc4ccccc4C(F)(F)F)c(OC)ccc13)CCc1cc(OC)c(OC)cc1-2.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H29F3NO4.HI/c1-5-20-21-10-11-25(35-2)29(38-17-19-8-6-7-9-24(19)30(31,32)33)23(21)16-34-13-12-18-14-26(36-3)27(37-4)15-22(18)28(20)34;/h6-11,14-16H,5,12-13,17H2,1-4H3;1H/q+1;/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UOGCNFDJTBOIPU-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