General Information of the Compound
| Compound ID |
CP0075193
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzyl N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H17N3O3
|
||||||||||||||||||
| Molecular Weight |
287.319
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCC(=O)N1CCC[C@H]1C#N)OCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H17N3O3/c16-9-13-7-4-8-18(13)14(19)10-17-15(20)21-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-8,10-11H2,(H,17,20)/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GMYAYIPUIKOHDZ-ZDUSSCGKSA-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
Protein ID: PT01037, Prolyl endopeptidase