General Information of the Compound
| Compound ID |
CP0542661
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H12F3NO3
|
||||||||||||||||||
| Molecular Weight |
275.226
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1CCN(C1)c1cccc(OC(F)(F)F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H12F3NO3/c13-12(14,15)19-10-3-1-2-9(6-10)16-5-4-8(7-16)11(17)18/h1-3,6,8H,4-5,7H2,(H,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGPVHFWHBQZNCW-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