General Information of the Compound
| Compound ID |
CP0541063
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[6-(2-methoxyethoxy)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19NO4S
|
||||||||||||||||||
| Molecular Weight |
333.409
|
||||||||||||||||||
| Canonical SMILES |
COCCOc1ccc2nccc(SC3(CCC3)C(O)=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19NO4S/c1-21-9-10-22-12-3-4-14-13(11-12)15(5-8-18-14)23-17(16(19)20)6-2-7-17/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQOXZZULYFZKOT-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