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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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2
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Rotatable bonds
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11
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Topological polar surface area
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66.4
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Molecular weight
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497.15
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XLogP
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7.33
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No. Lipinski's rules broken
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1
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SMILES / InChI / InChIKey
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Canonical SMILES
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CC(CC(=O)O)CC(=O)NC(C(Cc1ccc(c(c1)Cl)Cl)C=Cc1ccc2c(c1)cccc2)C
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Isomeric SMILES
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C[C@@H](CC(=O)O)CC(=O)N[C@H]([C@@H](Cc1ccc(c(c1)Cl)Cl)/C=C/c1ccc2c(c1)cccc2)C
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InChI
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InChI=1S/C28H29Cl2NO3/c1-18(14-28(33)34)13-27(32)31-19(2)23(16-21-9-12-25(29)26(30)17-21)11-8-20-7-10-22-5-3-4-6-24(22)15-20/h3-12,15,17-19,23H,13-14,16H2,1-2H3,(H,31,32)(H,33,34)/b11-8+/t18-,19+,23-/m1/s1
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InChI Key
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LVRZMZFXRFKCCY-KSYFVSBMSA-N
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