RCSB PDB - 1UZ Ligand Summary Page

1UZ

4-(4-oxo-4H-chromen-2-yl)benzonitrile

Created: 2013-06-13
Last modified:  2013-10-30

Find related ligands:

Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count30
Aromatic Bond Count12
2D diagram of 1UZ

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Chemical Component Summary

Name4-(4-oxo-4H-chromen-2-yl)benzonitrile
Systematic Name (OpenEye OEToolkits)4-(4-oxidanylidenechromen-2-yl)benzenecarbonitrile
FormulaC16 H9 N O2
Molecular Weight247.248
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01N#Cc3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
SMILESCACTVS3.370O=C1C=C(Oc2ccccc12)c3ccc(cc3)C#N
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C#N
Canonical SMILESCACTVS3.370 O=C1C=C(Oc2ccccc12)c3ccc(cc3)C#N
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C#N
InChIInChI1.03 InChI=1S/C16H9NO2/c17-10-11-5-7-12(8-6-11)16-9-14(18)13-3-1-2-4-15(13)19-16/h1-9H
InChIKeyInChI1.03 VDQXIGZGRYCKAE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2431802
PubChem 45116983
ChEMBL CHEMBL2431802