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EVF : Summary
Code
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EVF
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One-letter code
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X
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Molecule name
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1,3-benzothiazole-2-sulfonamide
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Systematic names
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Formula
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C7 H6 N2 O2 S2
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Formal charge
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0
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Molecular weight
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214.265 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=S(=O)(c1nc2ccccc2s1)N |
SMILES
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CACTVS |
3.370 |
N[S](=O)(=O)c1sc2ccccc2n1 |
SMILES
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OpenEye OEToolkits |
1.7.2 |
c1ccc2c(c1)nc(s2)S(=O)(=O)N |
Canonical SMILES
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CACTVS |
3.370 |
N[S](=O)(=O)c1sc2ccccc2n1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.2 |
c1ccc2c(c1)nc(s2)S(=O)(=O)N |
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IUPAC InChI | InChI=1S/C7H6N2O2S2/c8-13(10,11)7-9-5-3-1-2-4-6(5)12-7/h1-4H,(H2,8,10,11) |
IUPAC InChI key | SDYMYAFSQACTQP-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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19 (13 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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2011-06-03
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Last modified at
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2011-12-16
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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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