General Information of the Compound
| Compound ID |
CP0491252
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzyl 1-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22F3NO3
|
||||||||||||||||||
| Molecular Weight |
405.416
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCCC1(Cc1ccc(cc1)C(F)(F)F)C(=O)OCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22F3NO3/c1-16(27)26-13-5-12-21(26,20(28)29-15-18-6-3-2-4-7-18)14-17-8-10-19(11-9-17)22(23,24)25/h2-4,6-11H,5,12-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZGAKVJHXDPZTOY-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