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JXT : Summary
Code ![](/pdbe/static/images/help.png)
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JXT
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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8-bromanyl-9-pent-4-ynyl-purin-6-amine
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C10 H10 Br N5
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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280.124 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Nc1ncnc2n(CCCC#C)c(Br)nc12 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
C#CCCCn1c2c(c(ncn2)N)nc1Br |
Canonical SMILES
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CACTVS |
3.385 |
Nc1ncnc2n(CCCC#C)c(Br)nc12 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C#CCCCn1c2c(c(ncn2)N)nc1Br |
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IUPAC InChI ![](/pdbe/static/images/help.png) | 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) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | WCMPBWUQKLZDKB-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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26 (16 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2019-04-11
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Last modified at ![](/pdbe/static/images/help.png)
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2020-02-14
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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