General Information of the Compound
| Compound ID |
CP0492109
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| Compound Name |
(5E)-5-[1-(3-bromo-4-hydroxyphenyl)ethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C18H14BrNO3S2
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| Molecular Weight |
436.352
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| Canonical SMILES |
COc1ccc(cc1)N1C(=S)S\C(=C(/C)c2ccc(O)c(Br)c2)C1=O
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| InChI |
InChI=1S/C18H14BrNO3S2/c1-10(11-3-8-15(21)14(19)9-11)16-17(22)20(18(24)25-16)12-4-6-13(23-2)7-5-12/h3-9,21H,1-2H3/b16-10+
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| InChIKey |
BWHYJZIWGADIGP-MHWRWJLKSA-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