General Information of the Compound
| Compound ID |
CP0081217
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16N2O2
|
||||||||||||||||||
| Molecular Weight |
280.327
|
||||||||||||||||||
| Canonical SMILES |
O=C(COc1cccc2ccccc12)N1CCC[C@H]1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16N2O2/c18-11-14-7-4-10-19(14)17(20)12-21-16-9-3-6-13-5-1-2-8-15(13)16/h1-3,5-6,8-9,14H,4,7,10,12H2/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GXTNNLMFNYTVNV-AWEZNQCLSA-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