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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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1
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Rotatable bonds
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5
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Topological polar surface area
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79.37
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Molecular weight
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409.06
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XLogP
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3.44
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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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Clc1ccc(c(c1)CN1C(=O)c2c(C1=O)c(F)ccc2)NC(=O)c1ccccn1
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Isomeric SMILES
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Clc1ccc(c(c1)CN1C(=O)c2c(C1=O)c(F)ccc2)NC(=O)c1ccccn1
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InChI
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InChI=1S/C21H13ClFN3O3/c22-13-7-8-16(25-19(27)17-6-1-2-9-24-17)12(10-13)11-26-20(28)14-4-3-5-15(23)18(14)21(26)29/h1-10H,11H2,(H,25,27)
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InChI Key
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WBXKMHFMMCOTOK-UHFFFAOYSA-N
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