General Information of the Compound
| Compound ID |
CP0917133
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{[3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxy}-N-methylacetamide dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31Cl2N3O2
|
||||||||||||||||||
| Molecular Weight |
464.437
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)COc1ccc2nc(CC(C)C)c(CN)c(-c3ccc(C)cc3)c2c1.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29N3O2.2ClH/c1-15(2)11-22-20(13-25)24(17-7-5-16(3)6-8-17)19-12-18(9-10-21(19)27-22)29-14-23(28)26-4;;/h5-10,12,15H,11,13-14,25H2,1-4H3,(H,26,28);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
OTHFHIGNOUUXKH-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