General Information of the Compound
| Compound ID |
CP0453924
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[(6-methoxy-4-methylquinolin-2-yl)amino]propyl]thiophene-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21N3O2S
|
||||||||||||||||||
| Molecular Weight |
355.463
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2nc(NCCCNC(=O)c3ccsc3)cc(C)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21N3O2S/c1-13-10-18(22-17-5-4-15(24-2)11-16(13)17)20-7-3-8-21-19(23)14-6-9-25-12-14/h4-6,9-12H,3,7-8H2,1-2H3,(H,20,22)(H,21,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZSIOKDWEJZGJHW-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