General Information of the Compound
Compound ID |
CP0468104
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
6-cyano-7-fluoro-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C14H8FNO2S
|
||||||||||||||||||
Molecular Weight |
273.288
|
||||||||||||||||||
Canonical SMILES |
OC(=O)c1cc2CCc3c(ccc(F)c3C#N)-c2s1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C14H8FNO2S/c15-11-4-3-9-8(10(11)6-16)2-1-7-5-12(14(17)18)19-13(7)9/h3-5H,1-2H2,(H,17,18)
Show/Hide
|
||||||||||||||||||
InChIKey |
RVICQEAKHMLACM-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
Protein ID: PT06380, Palmitoleoyl-protein carboxylesterase NOTUM
Protein ID: PT05574, Palmitoleoyl-protein carboxylesterase NOTUM