General Information of the Compound
| Compound ID |
CP0193026
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(7-phenylheptanoyl)oxazole-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Synonyms |
2-(7-phenylheptanoyl)-1,3-oxazole-5-carbonitrile
2-(7-phenylheptanoyl)oxazole-5-carbonitrile
CHEMBL220770
JOWNZAGZZQQDKI-UHFFFAOYSA-N
SCHEMBL3144301
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18N2O2
|
||||||||||||||||||
| Molecular Weight |
282.343
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JOWNZAGZZQQDKI-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
Clinical Information about the Compound
Drug 1 ( 2-(7-phenylheptanoyl)oxazole-5-carbonitrile )
| Drug Name | 2-(7-phenylheptanoyl)oxazole-5-carbonitrile | ||
|---|---|---|---|