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SUZ : Summary
Code
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SUZ
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One-letter code
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X
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Molecule name
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[(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid
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Synonyms
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SULINDAC
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Systematic names
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Formula
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C20 H17 F O3 S
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Formal charge
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0
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Molecular weight
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356.411 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=S(c1ccc(cc1)/C=C3\c2ccc(F)cc2C(=C3C)CC(=O)O)C |
SMILES
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CACTVS |
3.370 |
CC1=C(CC(O)=O)c2cc(F)ccc2C1=Cc3ccc(cc3)[S](C)=O |
SMILES
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OpenEye OEToolkits |
1.7.0 |
CC1=C(c2cc(ccc2C1=Cc3ccc(cc3)S(=O)C)F)CC(=O)O |
Canonical SMILES
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CACTVS |
3.370 |
CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c3ccc(cc3)[S@@](C)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)[S@](=O)C)F)CC(=O)O |
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IUPAC InChI | InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-/t25-/m1/s1 |
IUPAC InChI key | MLKXDPUZXIRXEP-LQVWSKNFSA-N |
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wwPDB Information |
Atom count
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42 (25 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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HETAD
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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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2008-11-18
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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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