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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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5
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Hydrogen bond donors
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3
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Rotatable bonds
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12
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Topological polar surface area
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92.29
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Molecular weight
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505.23
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XLogP
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3.47
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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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COc1cc(NC(=O)NC(C(O)C)CN2CCC(CC2)Cc2ccc(cc2)Cl)cc(c1OC)OC
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Isomeric SMILES
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COc1cc(NC(=O)N[C@H](C(O)C)CN2CCC(CC2)Cc2ccc(cc2)Cl)cc(c1OC)OC
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InChI
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InChI=1S/C26H36ClN3O5/c1-17(31)22(16-30-11-9-19(10-12-30)13-18-5-7-20(27)8-6-18)29-26(32)28-21-14-23(33-2)25(35-4)24(15-21)34-3/h5-8,14-15,17,19,22,31H,9-13,16H2,1-4H3,(H2,28,29,32)/t17?,22-/m0/s1
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InChI Key
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JYDVJNOBDUOZJC-UGNFMNBCSA-N
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