General Information of the Compound
| Compound ID |
CP0506043
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4,4-bis(5-methylthiophen-2-yl)but-3-enyl]-3-fluoropiperidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24FNO2S2
|
||||||||||||||||||
| Molecular Weight |
393.549
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(s1)C(=CCCN1CCCC(F)(C1)C(O)=O)c1ccc(C)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24FNO2S2/c1-14-6-8-17(25-14)16(18-9-7-15(2)26-18)5-3-11-22-12-4-10-20(21,13-22)19(23)24/h5-9H,3-4,10-13H2,1-2H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASGQHERGMDDNFR-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