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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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8
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Hydrogen bond donors
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6
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Rotatable bonds
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12
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Topological polar surface area
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156.98
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Molecular weight
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448.22
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XLogP
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1.43
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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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O=C(c1nc([nH]c1C)C(c1ccccc1)c1ccccc1)NC(C(=O)O)CCCNC(=N)N
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Isomeric SMILES
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O=C(c1nc([nH]c1C)C(c1ccccc1)c1ccccc1)N[C@H](C(=O)O)CCCNC(=N)N
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InChI
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InChI=1S/C24H28N6O3/c1-15-20(22(31)29-18(23(32)33)13-8-14-27-24(25)26)30-21(28-15)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-14H2,1H3,(H,28,30)(H,29,31)(H,32,33)(H4,25,26,27)/t18-/m0/s1
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InChI Key
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RFBOIZXPIAOMAX-SFHVURJKSA-N
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