VT3

8-HYDROXY-2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE

Created:	2015-03-27
Last modified:	2016-04-13

Find Related PDB Entry
1 entries where VT3 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	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

2D diagram of VT3

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	8-HYDROXY-2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE
Systematic Name (OpenEye OEToolkits)	2-(4-methylphenyl)-8-oxidanyl-3H-quinazolin-4-one
Formula	C₁₅ H₁₂ N₂ O₂
Molecular Weight	252.268
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(cc1)C2=Nc3c(O)cccc3C(=O)N2
SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(cc1)C2=Nc3c(cccc3O)C(=O)N2
Canonical SMILES	CACTVS	3.385	Cc1ccc(cc1)C2=Nc3c(O)cccc3C(=O)N2
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(cc1)C2=Nc3c(cccc3O)C(=O)N2
InChI	InChI	1.03	InChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)14-16-13-11(15(19)17-14)3-2-4-12(13)18/h2-8,18H,1H3,(H,16,17,19)
InChIKey	InChI	1.03	MCCQXQRJNJXHRG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3827272
PubChem	45118285, 135566973
ChEMBL	CHEMBL3827272

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.