JXT

8-bromanyl-9-pent-4-ynyl-purin-6-amine

Created:	2019-04-11
Last modified:	2020-02-19

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1 entries where JXT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	10

2D diagram of JXT

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Chemical Component Summary
Name	8-bromanyl-9-pent-4-ynyl-purin-6-amine
Systematic Name (OpenEye OEToolkits)	8-bromanyl-9-pent-4-ynyl-purin-6-amine
Formula	C₁₀ H₁₀ Br N₅
Molecular Weight	280.124
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ncnc2n(CCCC#C)c(Br)nc12
SMILES	OpenEye OEToolkits	2.0.7	C#CCCCn1c2c(c(ncn2)N)nc1Br
Canonical SMILES	CACTVS	3.385	Nc1ncnc2n(CCCC#C)c(Br)nc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	C#CCCCn1c2c(c(ncn2)N)nc1Br
InChI	InChI	1.03	InChI=1S/C10H10BrN5/c1-2-3-4-5-16-9-7(15-10(16)11)8(12)13-6-14-9/h1,6H,3-5H2,(H2,12,13,14)
InChIKey	InChI	1.03	WCMPBWUQKLZDKB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11680719

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.