General Information of the Compound
| Compound ID |
CP0908312
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(5-N-Methyl-benzofuro[3,2-b]quinolin-5-ium)-N,N-dimethyl-propane-1,2-diamine Iodide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24IN3O
|
||||||||||||||||||
| Molecular Weight |
461.347
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCCNc1c2ccccc2[n+](C)c2c1oc1ccccc12.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N3O.HI/c1-23(2)14-8-13-22-19-15-9-4-6-11-17(15)24(3)20-16-10-5-7-12-18(16)25-21(19)20;/h4-7,9-12H,8,13-14H2,1-3H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
BRLOKQJTDVMMDS-UHFFFAOYSA-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