Synonyms: EP-157 | EP157
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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2
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Hydrogen bond donors
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1
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Rotatable bonds
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11
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Topological polar surface area
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58.89
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Molecular weight
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443.25
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XLogP
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8.05
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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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OC(=O)CCCC=CCC1C2CCC(C1C=NOC(c1ccccc1)c1ccccc1)C=C2
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Isomeric SMILES
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OC(=O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@H]([C@H]1/C=N/OC(c1ccccc1)c1ccccc1)C=C2
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InChI
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InChI=1S/C29H33NO3/c31-28(32)16-10-2-1-9-15-26-22-17-19-23(20-18-22)27(26)21-30-33-29(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h1,3-9,11-14,17,19,21-23,26-27,29H,2,10,15-16,18,20H2,(H,31,32)/b9-1-,30-21+/t22-,23+,26+,27+/m0/s1
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InChI Key
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NBBRUBRIVJNCKV-BYSZDLRWSA-N
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