General Information of the Compound
| Compound ID |
CP0245139
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| Compound Name |
4-(2,6-Dichloro-benzenesulfonylaminocarbonyl)-piperidine-1-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C17H22Cl2N2O5S
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| Molecular Weight |
437.345
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NS(=O)(=O)c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C17H22Cl2N2O5S/c1-17(2,3)26-16(23)21-9-7-11(8-10-21)15(22)20-27(24,25)14-12(18)5-4-6-13(14)19/h4-6,11H,7-10H2,1-3H3,(H,20,22)
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| InChIKey |
HFPSHBJXWIRRPK-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