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7I2 : Summary
Code ![](/pdbe/static/images/help.png)
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7I2
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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-NITROINDAZOLE-2-CARBOXAMIDINE
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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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C8 H7 N5 O2
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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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205.173 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 |
10.04 |
[O-][N+](=O)c2cccc1c2nn(c1)C(=[N@H])N |
SMILES
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CACTVS |
3.341 |
NC(=N)n1cc2cccc(c2n1)[N+]([O-])=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc2cn(nc2c(c1)[N+](=O)[O-])C(=N)N |
Canonical SMILES
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CACTVS |
3.341 |
NC(=N)n1cc2cccc(c2n1)[N+]([O-])=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc2cn(nc2c(c1)[N+](=O)[O-])C(=N)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H7N5O2/c9-8(10)12-4-5-2-1-3-6(13(14)15)7(5)11-12/h1-4H,(H3,9,10) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | GFYAZUABYOOPCN-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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22 (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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2000-09-05
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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