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AL6 : Summary
Code
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AL6
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One-letter code
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X
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Molecule name
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2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFINAMIDE-1,1-DIOXIDE
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Synonyms
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AL6528
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Systematic names
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Formula
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C13 H12 N2 O5 S3
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Formal charge
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0
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Molecular weight
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372.44 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=S(=O)(c1sc3c(c1)C=CN(c2cccc(OC)c2)S3(=O)=O)N |
SMILES
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CACTVS |
3.341 |
COc1cccc(c1)N2C=Cc3cc(sc3[S]2(=O)=O)[S](N)(=O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
COc1cccc(c1)N2C=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N |
Canonical SMILES
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CACTVS |
3.341 |
COc1cccc(c1)N2C=Cc3cc(sc3[S]2(=O)=O)[S](N)(=O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
COc1cccc(c1)N2C=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N |
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IUPAC InChI | InChI=1S/C13H12N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-8H,1H3,(H2,14,16,17) |
IUPAC InChI key | FBBLOSCXOZYUSS-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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35 (23 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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1999-07-08
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Last modified at
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2021-03-01
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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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