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EF6 : Summary
Code
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EF6
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One-letter code
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X
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Molecule name
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N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
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Synonyms
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Indisulam
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Systematic names
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Formula
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C14 H12 Cl N3 O4 S2
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Formal charge
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0
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Molecular weight
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385.846 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
N(S(=O)(c1ccc(cc1)S(N)(=O)=O)=O)c2cccc3c2ncc3Cl |
SMILES
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CACTVS |
3.385 |
N[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2cccc3c(Cl)c[nH]c23 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl |
Canonical SMILES
|
CACTVS |
3.385 |
N[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2cccc3c(Cl)c[nH]c23 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl |
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IUPAC InChI | InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20) |
IUPAC InChI key | SETFNECMODOHTO-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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36 (24 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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2019-08-05
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Last modified at
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2020-06-17
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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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