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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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6
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Hydrogen bond donors
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1
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Rotatable bonds
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10
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Topological polar surface area
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123.19
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Molecular weight
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509.18
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XLogP
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4.55
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No. Lipinski's rules broken
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0
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SMILES / InChI / InChIKey
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Canonical SMILES
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CCc1c(c2ccc(cc2)F)c(C=CP(=O)(CC(CC(=O)[O-])O)[O-])c(nc1c1ccccc1)C(C)C
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Isomeric SMILES
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CCc1c(c2ccc(cc2)F)c(/C=C/P(=O)(C[C@@H](CC(=O)[O-])O)[O-])c(nc1c1ccccc1)C(C)C
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InChI
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InChI=1S/C28H31FNO5P/c1-4-23-26(19-10-12-21(29)13-11-19)24(14-15-36(34,35)17-22(31)16-25(32)33)27(18(2)3)30-28(23)20-8-6-5-7-9-20/h5-15,18,22,31H,4,16-17H2,1-3H3,(H,32,33)(H,34,35)/p-2/b15-14+/t22-/m1/s1
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InChI Key
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LPNRUMVKXCLEBE-JXVRESAISA-L
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