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TGX : Summary
Code ![](/pdbe/static/images/help.png)
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TGX
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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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7-methyl-2H-1,4-benzothiazin-3(4H)-one
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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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C9 H9 N O S
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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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179.239 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C1Nc2c(SC1)cc(cc2)C |
SMILES
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CACTVS |
3.385 |
Cc1ccc2NC(=O)CSc2c1 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1ccc2c(c1)SCC(=O)N2 |
Canonical SMILES
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CACTVS |
3.385 |
Cc1ccc2NC(=O)CSc2c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1ccc2c(c1)SCC(=O)N2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H9NOS/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ODJQMWDFNLNCTM-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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21 (12 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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2015-02-12
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Last modified at ![](/pdbe/static/images/help.png)
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2015-05-08
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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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