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K8W : Summary
Code
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K8W
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One-letter code
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X
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Molecule name
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7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide
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Systematic names
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Formula
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C15 H14 N4 S
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Formal charge
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0
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Molecular weight
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282.363 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Cc1ccc(nc1N)c2cccc3cc(sc23)C(N)=N |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1ccc(nc1N)c2cccc3c2sc(c3)C(=N)N |
Canonical SMILES
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CACTVS |
3.385 |
Cc1ccc(nc1N)c2cccc3cc(sc23)C(N)=N |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
[H]/N=C(\c1cc2cccc(c2s1)c3ccc(c(n3)N)C)/N |
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IUPAC InChI | InChI=1S/C15H14N4S/c1-8-5-6-11(19-15(8)18)10-4-2-3-9-7-12(14(16)17)20-13(9)10/h2-7H,1H3,(H3,16,17)(H2,18,19) |
IUPAC InChI key | WXGXCTAHOSYPBQ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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34 (20 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2019-05-06
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Last modified at
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2020-06-12
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Status
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Released
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Obsoleted
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Not Assigned
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