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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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2
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Rotatable bonds
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8
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Topological polar surface area
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78.51
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Molecular weight
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497.25
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XLogP
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4.88
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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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CC(CC1C(=O)NC(C(=O)N1C(c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C
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Isomeric SMILES
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CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C
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InChI
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InChI=1S/C28H33F2N3O3/c1-15(2)11-23-26(34)32-24(19-12-17-7-5-6-8-18(17)13-19)28(36)33(23)25(27(35)31-16(3)4)21-10-9-20(29)14-22(21)30/h5-10,14-16,19,23-25H,11-13H2,1-4H3,(H,31,35)(H,32,34)/t23-,24-,25-/m1/s1
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InChI Key
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QGSYCKKZFPLTMQ-UBFVSLLYSA-N
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