General Information of the Compound
| Compound ID |
CP0494473
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzyl 1-acetyl-2-[(3-cyanophenyl)methyl]pyrrolidine-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22N2O3
|
||||||||||||||||||
| Molecular Weight |
362.429
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCCC1(Cc1cccc(c1)C#N)C(=O)OCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N2O3/c1-17(25)24-12-6-11-22(24,14-19-9-5-10-20(13-19)15-23)21(26)27-16-18-7-3-2-4-8-18/h2-5,7-10,13H,6,11-12,14,16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LFTTZRMZCVPKGF-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