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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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18
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Hydrogen bond donors
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8
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Rotatable bonds
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12
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Topological polar surface area
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318.98
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Molecular weight
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559.07
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XLogP
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-5.94
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No. Lipinski's rules broken
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3
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SMILES / InChI / InChIKey
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Canonical SMILES
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O=CC(C(C(COP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1cnc2c1ncnc2N)O)O)O)O)O
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Isomeric SMILES
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O=C[C@@H]([C@@H]([C@@H](COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O)O)O)O
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InChI
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InChI=1S/C15H23N5O14P2/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(26)11(25)8(33-15)3-32-36(29,30)34-35(27,28)31-2-7(23)10(24)6(22)1-21/h1,4-8,10-12,15,22-26H,2-3H2,(H,27,28)(H,29,30)(H2,16,17,18)/t6-,7+,8+,10-,11+,12+,15+/m0/s1
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InChI Key
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PWJFNRJRHXWEPT-AOOZFPJJSA-N
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