EQZ

6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{H}-isoindol-1-one

Created:	2018-04-10
Last modified:	2018-05-30

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1 entries where EQZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	54
Aromatic Bond Count	12

2D diagram of EQZ

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Chemical Component Summary
Name	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{H}-isoindol-1-one
Systematic Name (OpenEye OEToolkits)	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{H}-isoindol-1-one
Formula	C₂₀ H₂₃ Cl N₄ O₃
Molecular Weight	402.875
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COCCN1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3Cl
SMILES	OpenEye OEToolkits	2.0.6	COCCN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl
Canonical SMILES	CACTVS	3.385	COCCN1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3Cl
Canonical SMILES	OpenEye OEToolkits	2.0.6	COCCN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl
InChI	InChI	1.03	InChI=1S/C20H23ClN4O3/c1-27-9-6-25-12-14-3-2-13(10-16(14)19(25)26)18-17(21)11-22-20(24-18)23-15-4-7-28-8-5-15/h2-3,10-11,15H,4-9,12H2,1H3,(H,22,23,24)
InChIKey	InChI	1.03	PVCKWDJCSQJNFH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4217740
PubChem	129053136
ChEMBL	CHEMBL4217740

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.