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K6W : Summary
Code ![](/pdbe/static/images/help.png)
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K6W
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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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4-phenyl-5-(phenylmethyl)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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C18 H16 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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292.398 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)c1sc(Cc2ccccc2)c(c1)c3ccccc3 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)Cc2c(cc(s2)C(=N)N)c3ccccc3 |
Canonical SMILES
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CACTVS |
3.385 |
NC(=N)c1sc(Cc2ccccc2)c(c1)c3ccccc3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
[H]/N=C(/c1cc(c(s1)Cc2ccccc2)c3ccccc3)\N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C18H16N2S/c19-18(20)17-12-15(14-9-5-2-6-10-14)16(21-17)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H3,19,20) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NINSVBHVKFSPEZ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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37 (21 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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2019-04-30
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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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