General Information of the Compound
| Compound ID |
CP0505476
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| Compound Name |
(2S,3R)-1-(3-chloro-4-cyano-2-methyl-phenylsulfamoyl)-3-hydroxy-pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C13H14ClN3O5S
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| Molecular Weight |
359.791
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| Canonical SMILES |
Cc1c(Cl)c(ccc1NS(=O)(=O)N1CC[C@@H](O)[C@H]1C(O)=O)C#N
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| InChI |
InChI=1S/C13H14ClN3O5S/c1-7-9(3-2-8(6-15)11(7)14)16-23(21,22)17-5-4-10(18)12(17)13(19)20/h2-3,10,12,16,18H,4-5H2,1H3,(H,19,20)/t10-,12+/m1/s1
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| InChIKey |
NKZVQILFXGAMOQ-PWSUYJOCSA-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