T8R

5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one

Created:	2023-01-04
Last modified:	2023-11-22

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2 entries where T8R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	16

2D diagram of T8R

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Chemical Component Summary
Name	5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one
Systematic Name (OpenEye OEToolkits)	5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one
Formula	C₂₂ H₂₁ N O₄
Molecular Weight	363.406
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCn1cc(C2=CC(=O)c3c(O)cc(O)cc3O2)c4ccccc14
SMILES	OpenEye OEToolkits	2.0.7	CCCCCn1cc(c2c1cccc2)C3=CC(=O)c4c(cc(cc4O3)O)O
Canonical SMILES	CACTVS	3.385	CCCCCn1cc(C2=CC(=O)c3c(O)cc(O)cc3O2)c4ccccc14
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCCn1cc(c2c1cccc2)C3=CC(=O)c4c(cc(cc4O3)O)O
InChI	InChI	1.06	InChI=1S/C22H21NO4/c1-2-3-6-9-23-13-16(15-7-4-5-8-17(15)23)20-12-19(26)22-18(25)10-14(24)11-21(22)27-20/h4-5,7-8,10-13,24-25H,2-3,6,9H2,1H3
InChIKey	InChI	1.06	RZGZFONKKPMOLH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	169410393

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.