General Information of the Compound
| Compound ID |
CP0469747
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(5-(3-oxo-3-phenylpropyl)-1H-tetrazol-1-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14N4O
|
||||||||||||||||||
| Molecular Weight |
302.337
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCc1cnnn1-c1ccc(cc1)C#N)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14N4O/c19-12-14-6-8-16(9-7-14)22-17(13-20-21-22)10-11-18(23)15-4-2-1-3-5-15/h1-9,13H,10-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XGOQTPHXPALABI-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