General Information of the Compound
| Compound ID |
CP0561917
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-naphthalen-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15N3O
|
||||||||||||||||||
| Molecular Weight |
265.316
|
||||||||||||||||||
| Canonical SMILES |
C1CN[C@@H](C1)c1nc(no1)-c1ccc2ccccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15N3O/c1-2-5-12-10-13(8-7-11(12)4-1)15-18-16(20-19-15)14-6-3-9-17-14/h1-2,4-5,7-8,10,14,17H,3,6,9H2/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NGSQNCDLZORERV-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