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Q85 : Summary
Code ![](/pdbe/static/images/help.png)
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Q85
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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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~{N}-[(4-methoxyphenyl)methyl]-2-selanyl-benzamide
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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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C15 H15 N O2 Se
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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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320.245 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 |
COc1ccc(CNC(=O)c2ccccc2[SeH])cc1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
COc1ccc(cc1)CNC(=O)c2ccccc2[SeH] |
Canonical SMILES
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CACTVS |
3.385 |
COc1ccc(CNC(=O)c2ccccc2[SeH])cc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
COc1ccc(cc1)CNC(=O)c2ccccc2[SeH] |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H15NO2Se/c1-18-12-8-6-11(7-9-12)10-16-15(17)13-4-2-3-5-14(13)19/h2-9,19H,10H2,1H3,(H,16,17) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | YYKTWDKCQYEMIR-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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34 (19 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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2020-05-26
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Last modified at ![](/pdbe/static/images/help.png)
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2020-09-11
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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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