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7RI : Summary
Code ![](/pdbe/static/images/help.png)
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7RI
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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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5-bromanyl-N-methyl-1H-indazole-3-carboxamide
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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 H8 Br N3 O
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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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254.083 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 |
CNC(=O)c1n[nH]c2ccc(Br)cc12 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CNC(=O)c1c2cc(ccc2[nH]n1)Br |
Canonical SMILES
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CACTVS |
3.385 |
CNC(=O)c1n[nH]c2ccc(Br)cc12 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CNC(=O)c1c2cc(ccc2[nH]n1)Br |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H8BrN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | LZKFBFNVDKRHMH-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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22 (14 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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2021-08-23
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Last modified at ![](/pdbe/static/images/help.png)
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2021-10-15
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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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