General Information of the Compound
| Compound ID |
CP0533608
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4,4,4-trifluoro-1-[(3R)-3-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H13F3N4O2S
|
||||||||||||||||||
| Molecular Weight |
346.334
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)CCC(=O)N1CC[C@H](C1)c1nc(no1)-c1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H13F3N4O2S/c14-13(15,16)3-1-9(21)20-5-2-8(7-20)11-18-10(19-22-11)12-17-4-6-23-12/h4,6,8H,1-3,5,7H2/t8-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HVEPOJMIHOLNHC-MRVPVSSYSA-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