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LFQ : Summary
Code ![](/pdbe/static/images/help.png)
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LFQ
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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-methyl-4-phenyl-thiophene-2-carboximidamide
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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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C12 H12 N2 S
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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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216.302 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 |
Cc1sc(cc1c2ccccc2)C(N)=N |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1c(cc(s1)C(=N)N)c2ccccc2 |
Canonical SMILES
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CACTVS |
3.385 |
Cc1sc(cc1c2ccccc2)C(N)=N |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
[H]/N=C(/c1cc(c(s1)C)c2ccccc2)\N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H12N2S/c1-8-10(7-11(15-8)12(13)14)9-5-3-2-4-6-9/h2-7H,1H3,(H3,13,14) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HUQORXRDKCJHHJ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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27 (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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2019-08-13
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-12
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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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