General Information of the Compound
| Compound ID |
CP0048843
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| Compound Name |
5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C18H23NO3S
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| Molecular Weight |
333.453
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| Canonical SMILES |
CC(C)(C)c1cc(\C=C2/SC(=O)NC2=O)cc(c1O)C(C)(C)C
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| InChI |
InChI=1S/C18H23NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-
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| InChIKey |
VMWQYEAAXYPFCW-LCYFTJDESA-N
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| CAS |
127378-46-5
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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