General Information of the Compound
| Compound ID |
CP0536343
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| Compound Name |
5-[(3R,4S)-4-(4-chlorophenyl)sulfonyl-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
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| Structure |
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| Formula |
C17H16ClN3O6S2
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| Molecular Weight |
457.917
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| Canonical SMILES |
OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(nc1)C#N
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| InChI |
InChI=1S/C17H16ClN3O6S2/c18-12-1-4-14(5-2-12)28(24,25)16-9-21(10-17(16,23)11-22)29(26,27)15-6-3-13(7-19)20-8-15/h1-6,8,16,22-23H,9-11H2/t16-,17+/m0/s1
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| InChIKey |
DAZGSEGOZOPJER-DLBZAZTESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound