General Information of the Compound
| Compound ID |
CP0524233
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)furan-2(5H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20F7NO3
|
||||||||||||||||||
| Molecular Weight |
503.414
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1=CC(=O)OC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20F7NO3/c1-13(15-6-16(23(26,27)28)8-17(7-15)24(29,30)31)35-21-11-32(19-9-22(33)34-12-19)10-20(21)14-2-4-18(25)5-3-14/h2-9,13,20-21H,10-12H2,1H3/t13-,20+,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LHLNCLYRSZVJQH-HBUDHLSFSA-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