ER7

1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one

Created:	2018-01-29
Last modified:	2018-05-30

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1 entries where ER7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	16

2D diagram of ER7

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Chemical Component Summary
Name	1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
Systematic Name (OpenEye OEToolkits)	1-[7-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
Formula	C₁₄ H₁₁ F N₄ O
Molecular Weight	270.262
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c3n(nc1)c(c2cc(ccc2)F)c(c(C)n3)C(C)=O
SMILES	CACTVS	3.385	CC(=O)c1c(C)nc2ncnn2c1c3cccc(F)c3
SMILES	OpenEye OEToolkits	2.0.6	Cc1c(c(n2c(n1)ncn2)c3cccc(c3)F)C(=O)C
Canonical SMILES	CACTVS	3.385	CC(=O)c1c(C)nc2ncnn2c1c3cccc(F)c3
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1c(c(n2c(n1)ncn2)c3cccc(c3)F)C(=O)C
InChI	InChI	1.03	InChI=1S/C14H11FN4O/c1-8-12(9(2)20)13(10-4-3-5-11(15)6-10)19-14(18-8)16-7-17-19/h3-7H,1-2H3
InChIKey	InChI	1.03	VMZVIJOZARWDNG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137349281

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.