General Information of the Compound
| Compound ID |
CP0862410
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-allylphenyl)-N-(3,5-bis(trifluoromethyl)phenyl)-3-isopropyl-5-oxopyrrolidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24F6N2O2
|
||||||||||||||||||
| Molecular Weight |
498.467
|
||||||||||||||||||
| Canonical SMILES |
C=CCc1ccccc1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)CC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24F6N2O2/c1-4-7-16-8-5-6-9-20(16)33-14-23(15(2)3,13-21(33)34)22(35)32-19-11-17(24(26,27)28)10-18(12-19)25(29,30)31/h4-6,8-12,15H,1,7,13-14H2,2-3H3,(H,32,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RIZXFRSIRLZVET-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