General Information of the Compound
| Compound ID |
CP0432332
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| Compound Name |
ethyl 5-cyano-6-[3-[[4-(hydroxymethyl)phenyl]methylsulfonylcarbamoyl]azetidin-1-yl]-2-methylpyridine-3-carboxylate
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| Structure |
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| Formula |
C22H24N4O6S
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| Molecular Weight |
472.523
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| Canonical SMILES |
CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(CO)cc1
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| InChI |
InChI=1S/C22H24N4O6S/c1-3-32-22(29)19-8-17(9-23)20(24-14(19)2)26-10-18(11-26)21(28)25-33(30,31)13-16-6-4-15(12-27)5-7-16/h4-8,18,27H,3,10-13H2,1-2H3,(H,25,28)
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| InChIKey |
IQWIOJAQGQOGMO-UHFFFAOYSA-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