VZR

4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one

Created:	2023-04-21
Last modified:	2023-08-16

Find Related PDB Entry
1 entries where VZR is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	0
Bond Count	59
Aromatic Bond Count	23

2D diagram of VZR

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one
Systematic Name (OpenEye OEToolkits)	4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one
Formula	C₂₆ H₂₁ N₃ O₅
Molecular Weight	455.462
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC1=CC(=O)Oc2cc(OCc3cn(Cc4ccc(Oc5ccccc5)c(O)c4)nn3)ccc12
SMILES	OpenEye OEToolkits	2.0.7	CC1=CC(=O)Oc2c1ccc(c2)OCc3cn(nn3)Cc4ccc(c(c4)O)Oc5ccccc5
Canonical SMILES	CACTVS	3.385	CC1=CC(=O)Oc2cc(OCc3cn(Cc4ccc(Oc5ccccc5)c(O)c4)nn3)ccc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC1=CC(=O)Oc2c1ccc(c2)OCc3cn(nn3)Cc4ccc(c(c4)O)Oc5ccccc5
InChI	InChI	1.06	InChI=1S/C26H21N3O5/c1-17-11-26(31)34-25-13-21(8-9-22(17)25)32-16-19-15-29(28-27-19)14-18-7-10-24(23(30)12-18)33-20-5-3-2-4-6-20/h2-13,15,30H,14,16H2,1H3
InChIKey	InChI	1.06	ZRIHXCXHNUJXDW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168451721

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.