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GFD : Summary
Code
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GFD
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One-letter code
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X
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Molecule name
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2-[(4-aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide
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Systematic names
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Formula
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C27 H27 N5 O7 S2
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Formal charge
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0
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Molecular weight
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597.663 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
COc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)[S](=O)(=O)c3ccc(N)cc3)c4ccccc24 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)N |
Canonical SMILES
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CACTVS |
3.385 |
COc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)[S](=O)(=O)c3ccc(N)cc3)c4ccccc24 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)N |
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IUPAC InChI | InChI=1S/C27H27N5O7S2/c1-39-19-8-12-21(13-9-19)41(37,38)32(17-27(30)34)25-15-14-24(22-4-2-3-5-23(22)25)31(16-26(29)33)40(35,36)20-10-6-18(28)7-11-20/h2-15H,16-17,28H2,1H3,(H2,29,33)(H2,30,34) |
IUPAC InChI key | DFIZGWXPFCOCFG-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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68 (41 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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2022-05-06
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Last modified at
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2022-07-01
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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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