General Information of the Compound
| Compound ID |
CP0288331
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| Compound Name |
4-(4-Chloro-benzenesulfonyl)-3-methyl-2-(piperidine-1-carbonyl)-2H-isoxazol-5-one
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| Structure |
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| Formula |
C16H17ClN2O5S
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| Molecular Weight |
384.841
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| Canonical SMILES |
Cc1c(c(=O)on1C(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H17ClN2O5S/c1-11-14(25(22,23)13-7-5-12(17)6-8-13)15(20)24-19(11)16(21)18-9-3-2-4-10-18/h5-8H,2-4,9-10H2,1H3
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| InChIKey |
PAAZPCFQODDKDI-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