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LFB : Summary
Code
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LFB
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One-letter code
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X
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Molecule name
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7-methoxy-1-benzothiophene-2-carboximidamide
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Systematic names
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Formula
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C10 H10 N2 O S
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Formal charge
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0
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Molecular weight
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206.264 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
COc1cccc2cc(sc12)C(N)=N |
SMILES
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OpenEye OEToolkits |
2.0.7 |
COc1cccc2c1sc(c2)C(=N)N |
Canonical SMILES
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CACTVS |
3.385 |
COc1cccc2cc(sc12)C(N)=N |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
[H]/N=C(\c1cc2cccc(c2s1)OC)/N |
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IUPAC InChI | InChI=1S/C10H10N2OS/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3,(H3,11,12) |
IUPAC InChI key | ZWUNRCDOCDRURS-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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24 (14 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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2019-08-12
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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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