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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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7
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Hydrogen bond donors
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3
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Rotatable bonds
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7
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Topological polar surface area
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144.23
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Molecular weight
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389.15
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XLogP
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1.27
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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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CC1CCC(=C(C1)NC(=O)C(Cc1onc(n1)c1ccc(cn1)F)N)C(=O)O
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Isomeric SMILES
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C[C@@H]1CCC(=C(C1)NC(=O)[C@H](Cc1onc(n1)c1ccc(cn1)F)N)C(=O)O
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InChI
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InChI=1S/C18H20FN5O4/c1-9-2-4-11(18(26)27)14(6-9)22-17(25)12(20)7-15-23-16(24-28-15)13-5-3-10(19)8-21-13/h3,5,8-9,12H,2,4,6-7,20H2,1H3,(H,22,25)(H,26,27)/t9-,12+/m1/s1
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InChI Key
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CDYGJIFOATYSNF-SKDRFNHKSA-N
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