General Information of the Compound
| Compound ID |
CP0917409
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinoline-6-carboxylic acid dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26Cl2N2O2
|
||||||||||||||||||
| Molecular Weight |
421.368
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(C(=O)O)cc23)cc1.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24N2O2.2ClH/c1-13(2)10-20-18(12-23)21(15-6-4-14(3)5-7-15)17-11-16(22(25)26)8-9-19(17)24-20;;/h4-9,11,13H,10,12,23H2,1-3H3,(H,25,26);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
BGBJGYHFNQENSY-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