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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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4
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Hydrogen bond donors
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0
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Rotatable bonds
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4
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Topological polar surface area
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72.12
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Molecular weight
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384.14
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XLogP
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3.57
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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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Fc1ccc(cc1)C(=O)N1CC(CCC1C)c1noc(n1)c1ccc(cn1)F
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Isomeric SMILES
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Fc1ccc(cc1)C(=O)N1C[C@H](CC[C@H]1C)c1noc(n1)c1ccc(cn1)F
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InChI
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InChI=1S/C20H18F2N4O2/c1-12-2-3-14(11-26(12)20(27)13-4-6-15(21)7-5-13)18-24-19(28-25-18)17-9-8-16(22)10-23-17/h4-10,12,14H,2-3,11H2,1H3/t12-,14+/m1/s1
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InChI Key
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JOBPCEDWVKYVKZ-OCCSQVGLSA-N
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