General Information of the Compound
| Compound ID |
CP0102676
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(6-bromoquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
Cycloalkyl acid derivative 2
PMID27414413-Compound-Figure9right
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H12BrNO2S
|
||||||||||||||||||
| Molecular Weight |
338.226
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1(CCC1)Sc1ccnc2ccc(Br)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H12BrNO2S/c15-9-2-3-11-10(8-9)12(4-7-16-11)19-14(13(17)18)5-1-6-14/h2-4,7-8H,1,5-6H2,(H,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QGBWIYLNOBYNDL-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
1638327-48-6
|
||||||||||||||||||
| 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
Clinical Information about the Compound