General Information of the Compound
| Compound ID |
CP0532158
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| Compound Name |
(3R)-6-cyclohexyl-3-[3-(1,1-dioxido-2-isothiazolidinyl)-1,2,4-oxadiazol-5-yl]-Nhydroxyhexanamide
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| Structure |
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| Formula |
C18H30N4O5S
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| Molecular Weight |
414.528
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| Canonical SMILES |
ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(CN2CCCS2(=O)=O)no1
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| InChI |
InChI=1S/C18H30N4O5S/c23-17(20-24)12-15(9-4-8-14-6-2-1-3-7-14)18-19-16(21-27-18)13-22-10-5-11-28(22,25)26/h14-15,24H,1-13H2,(H,20,23)/t15-/m1/s1
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| InChIKey |
JLBFVFOAWVBNFN-OAHLLOKOSA-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