General Information of the Compound
| Compound ID |
CP0910732
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-Hydroxy-2,5,7,9-tetramethyl-9H-beta-carbolin-2-ium
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H17IN2O
|
||||||||||||||||||
| Molecular Weight |
368.218
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc2c(c(C)c1O)c1cc[n+](C)cc1n2C.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H16N2O.HI/c1-9-7-12-14(10(2)15(9)18)11-5-6-16(3)8-13(11)17(12)4;/h5-8H,1-4H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
FXFALEMCNVCYLD-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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3