General Information of the Compound
| Compound ID |
CP0702876
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| Compound Name |
5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)-ylidene]-2-hydroxyamino-thiazol-4-one
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| Structure |
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| Formula |
C18H24N2O3S
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| Molecular Weight |
348.468
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| Canonical SMILES |
CC(C)(C)c1cc(/C=C2\SC(NO)=NC2=O)cc(C(C)(C)C)c1O
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| InChI |
InChI=1S/C18H24N2O3S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)19-16(20-23)24-13/h7-9,21,23H,1-6H3,(H,19,20,22)/b13-9-
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| InChIKey |
BBVRYNOHSCGZRP-LCYFTJDESA-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