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LQN : Summary
Code
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LQN
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One-letter code
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X
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Molecule name
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2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide
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Systematic names
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Formula
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C20 H14 F3 N O Se
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Formal charge
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0
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Molecular weight
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420.286 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
FC(F)(F)c1ccc(cc1)c2cccc(NC(=O)c3ccccc3[SeH])c2 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc(c(c1)C(=O)Nc2cccc(c2)c3ccc(cc3)C(F)(F)F)[SeH] |
Canonical SMILES
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CACTVS |
3.385 |
FC(F)(F)c1ccc(cc1)c2cccc(NC(=O)c3ccccc3[SeH])c2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc(c(c1)C(=O)Nc2cccc(c2)c3ccc(cc3)C(F)(F)F)[SeH] |
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IUPAC InChI | InChI=1S/C20H14F3NOSe/c21-20(22,23)15-10-8-13(9-11-15)14-4-3-5-16(12-14)24-19(25)17-6-1-2-7-18(17)26/h1-12,26H,(H,24,25) |
IUPAC InChI key | KDJGCBCDXDUUBJ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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40 (26 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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2019-09-02
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Last modified at
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2020-03-13
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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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