General Information of the Compound
| Compound ID |
CP0395444
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| Compound Name |
5-[1-(3,5-Di-tert-butyl-phenyl)-meth-(Z)-ylidene]-2-hydroxy-thiazol-4-one
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| Structure |
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| Formula |
C18H23NO2S
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| Molecular Weight |
317.454
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| Canonical SMILES |
CC(C)(C)c1cc(\C=C2/SC(=O)NC2=O)cc(c1)C(C)(C)C
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| InChI |
InChI=1S/C18H23NO2S/c1-17(2,3)12-7-11(8-13(10-12)18(4,5)6)9-14-15(20)19-16(21)22-14/h7-10H,1-6H3,(H,19,20,21)/b14-9-
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| InChIKey |
WTFRBPFGVYMQIN-ZROIWOOFSA-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