GZA

2-[(1-benzyl-1H-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3H)-one

Created:	2016-01-28
Last modified:	2016-04-13

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1 entries where GZA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	17

2D diagram of GZA

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Chemical Component Summary
Name	2-[(1-benzyl-1H-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3H)-one
Systematic Name (OpenEye OEToolkits)	2-[1-(phenylmethyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
Formula	C₁₇ H₁₃ N₅ O₂
Molecular Weight	319.317
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(c1ccccc1)n2cc(cn2)OC=4NC(c3ccncc3N=4)=O
SMILES	CACTVS	3.385	O=C1NC(=Nc2cnccc12)Oc3cnn(Cc4ccccc4)c3
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)Cn2cc(cn2)OC3=Nc4cnccc4C(=O)N3
Canonical SMILES	CACTVS	3.385	O=C1NC(=Nc2cnccc12)Oc3cnn(Cc4ccccc4)c3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)Cn2cc(cn2)OC3=Nc4cnccc4C(=O)N3
InChI	InChI	1.03	InChI=1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23)
InChIKey	InChI	1.03	ZTYRLXUTLYBVHH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3771180
PubChem	90446507, 135567128
ChEMBL	CHEMBL3771180

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.