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WNA : Summary
Code ![](/pdbe/static/images/help.png)
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WNA
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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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1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-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 H13 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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203.244 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 |
c2(NCc1c(C)cccc1)nnnn2C |
SMILES
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CACTVS |
3.385 |
Cn1nnnc1NCc2ccccc2C |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1ccccc1CNc2nnnn2C |
Canonical SMILES
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CACTVS |
3.385 |
Cn1nnnc1NCc2ccccc2C |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1ccccc1CNc2nnnn2C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H13N5/c1-8-5-3-4-6-9(8)7-11-10-12-13-14-15(10)2/h3-6H,7H2,1-2H3,(H,11,12,14) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | CHQPGTNAKZDALZ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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28 (15 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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2020-10-30
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Last modified at ![](/pdbe/static/images/help.png)
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2020-11-06
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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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