General Information of the Compound
| Compound ID |
CP0485125
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-{1-Methyl-2-[(thiophen-3-ylmethyl)-amino]-ethoxy}-quinolin-2-ylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19N3OS
|
||||||||||||||||||
| Molecular Weight |
313.426
|
||||||||||||||||||
| Canonical SMILES |
CC(CNCc1ccsc1)Oc1cccc2ccc(N)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19N3OS/c1-12(9-19-10-13-7-8-22-11-13)21-15-4-2-3-14-5-6-16(18)20-17(14)15/h2-8,11-12,19H,9-10H2,1H3,(H2,18,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KUOMQPQUGJCJDT-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