UJS

(4-hydroxy-1,3-phenylene)bis[(2H-isoindol-2-yl)methanone]

Created:	2020-05-18
Last modified:	2023-08-16

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1 entries where UJS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	26

2D diagram of UJS

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Chemical Component Summary
Name	(4-hydroxy-1,3-phenylene)bis[(2H-isoindol-2-yl)methanone]
Systematic Name (OpenEye OEToolkits)	isoindol-2-yl-(3-isoindol-2-ylcarbonyl-4-oxidanyl-phenyl)methanone
Formula	C₂₄ H₁₆ N₂ O₃
Molecular Weight	380.395
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3(c(ccc(C(=O)n1cc2c(c1)cccc2)c3)O)C(=O)n4cc5c(c4)cccc5
SMILES	CACTVS	3.385	Oc1ccc(cc1C(=O)n2cc3ccccc3c2)C(=O)n4cc5ccccc5c4
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2cn(cc2c1)C(=O)c3ccc(c(c3)C(=O)n4cc5ccccc5c4)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1C(=O)n2cc3ccccc3c2)C(=O)n4cc5ccccc5c4
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2cn(cc2c1)C(=O)c3ccc(c(c3)C(=O)n4cc5ccccc5c4)O
InChI	InChI	1.03	InChI=1S/C24H16N2O3/c27-22-10-9-16(23(28)25-12-17-5-1-2-6-18(17)13-25)11-21(22)24(29)26-14-19-7-3-4-8-20(19)15-26/h1-15,27H
InChIKey	InChI	1.03	FQSLQNAXZJFWRX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168451699

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.