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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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11
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Hydrogen bond donors
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6
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Rotatable bonds
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3
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Topological polar surface area
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184.81
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Molecular weight
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299.13
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XLogP
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-2.59
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No. Lipinski's rules broken
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2
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SMILES / InChI / InChIKey
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Canonical SMILES
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NC(=O)OCC1N=C(N)N2C3(C1NC(=N3)N)C(O)(O)CC2
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Isomeric SMILES
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NC(=O)OC[C@@H]1N=C(N)N2[C@@]3([C@H]1NC(=N3)N)C(O)(O)CC2
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InChI
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InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1
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InChI Key
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RPQXVSUAYFXFJA-HGRQIUPRSA-N
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