General Information of the Compound
| Compound ID |
CP0648753
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Trifluoro-acetate(1S,2S)-2-(4'-fluoro-biphenyl-4-yl)-1-((S)-3-fluoro-pyrrolidine-1-carbonyl)-propyl-ammonium
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23F5N2O3
|
||||||||||||||||||
| Molecular Weight |
458.427
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22F2N2O.C2HF3O2/c1-13(19(23)20(25)24-11-10-18(22)12-24)14-2-4-15(5-3-14)16-6-8-17(21)9-7-16;3-2(4,5)1(6)7/h2-9,13,18-19H,10-12,23H2,1H3;(H,6,7)/t13-,18-,19-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OIZVBIOZOWQPPG-KHMBKLQOSA-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