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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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5
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Hydrogen bond donors
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3
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Rotatable bonds
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10
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Topological polar surface area
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96.16
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Molecular weight
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411.19
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XLogP
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2.91
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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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O=C(CC(c1ccc(cc1)F)c1ccc(cc1)F)NC(=NCCCc1cnc[nH]1)N
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Isomeric SMILES
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O=C(CC(c1ccc(cc1)F)c1ccc(cc1)F)NC(=NCCCc1cnc[nH]1)N
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InChI
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InChI=1S/C22H23F2N5O/c23-17-7-3-15(4-8-17)20(16-5-9-18(24)10-6-16)12-21(30)29-22(25)27-11-1-2-19-13-26-14-28-19/h3-10,13-14,20H,1-2,11-12H2,(H,26,28)(H3,25,27,29,30)
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InChI Key
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BRPONMOKDIJLJF-UHFFFAOYSA-N
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