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NJZ : Summary
Code ![](/pdbe/static/images/help.png)
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NJZ
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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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[3-bromanyl-5-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate
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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 Br N4 S2
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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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333.271 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 |
NC(=N)SCc1cc(Br)cc(CSC(N)=N)c1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1c(cc(cc1CSC(=N)N)Br)CSC(=N)N |
Canonical SMILES
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CACTVS |
3.385 |
NC(=N)SCc1cc(Br)cc(CSC(N)=N)c1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
[H]/N=C(\SCc1cc(cc(c1)CS/C(=N/[H])/N)Br)/N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H13BrN4S2/c11-8-2-6(4-16-9(12)13)1-7(3-8)5-17-10(14)15/h1-3H,4-5H2,(H3,12,13)(H3,14,15) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | KHMFYTPEFLUGGV-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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30 (17 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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2019-12-02
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Last modified at ![](/pdbe/static/images/help.png)
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2019-12-13
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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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