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ILF : Summary
Code
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ILF
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One-letter code
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X
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Molecule name
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3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID
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Systematic names
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Formula
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C19 H10 F5 N O4 S
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Formal charge
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0
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Molecular weight
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443.344 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)c3sccc3C(=O)Nc2c(F)cc(c1cccc(OC(F)(F)F)c1)cc2F |
SMILES
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CACTVS |
3.341 |
OC(=O)c1sccc1C(=O)Nc2c(F)cc(cc2F)c3cccc(OC(F)(F)F)c3 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)c3ccsc3C(=O)O)F |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)c1sccc1C(=O)Nc2c(F)cc(cc2F)c3cccc(OC(F)(F)F)c3 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)c3ccsc3C(=O)O)F |
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IUPAC InChI | InChI=1S/C19H10F5NO4S/c20-13-7-10(9-2-1-3-11(6-9)29-19(22,23)24)8-14(21)15(13)25-17(26)12-4-5-30-16(12)18(27)28/h1-8H,(H,25,26)(H,27,28) |
IUPAC InChI key | CGNHUSCKOHDSMR-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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40 (30 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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2006-01-30
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Last modified at
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2011-06-04
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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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