General Information of the Compound
| Compound ID |
CP0490931
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| Compound Name |
(2S,3R)-1-(3-chloro-4-cyano-2-methyl-phenylsulfamoyl)-3-hydroxy-pyrrolidine-2-carboxylic acid methyl ester
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| Structure |
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| Formula |
C14H16ClN3O5S
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| Molecular Weight |
373.818
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| Canonical SMILES |
COC(=O)[C@@H]1[C@H](O)CCN1S(=O)(=O)Nc1ccc(C#N)c(Cl)c1C
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| InChI |
InChI=1S/C14H16ClN3O5S/c1-8-10(4-3-9(7-16)12(8)15)17-24(21,22)18-6-5-11(19)13(18)14(20)23-2/h3-4,11,13,17,19H,5-6H2,1-2H3/t11-,13+/m1/s1
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| InChIKey |
GAWBUFHNXCHJCS-YPMHNXCESA-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