Synonyms: ZD 6021 | ZD-6021
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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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0
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Rotatable bonds
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10
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Topological polar surface area
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83.62
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Molecular weight
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631.18
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XLogP
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6.71
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No. Lipinski's rules broken
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1
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SMILES / InChI / InChIKey
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Canonical SMILES
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N#Cc1cc2ccccc2c(c1)C(=O)N(CC(c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1S(=O)C)C
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Isomeric SMILES
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N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C
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InChI
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InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1
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InChI Key
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SJHZTGDJTIZMSK-KPRDSAADSA-N
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