General Information of the Compound
| Compound ID |
CP0388323
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| Compound Name |
5-(4-(benzyloxy)-3-methoxybenzylidene)-3-(4-fluorobenzyl)thiazolidine-2,4-dione
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| Structure |
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| Formula |
C25H20FNO4S
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| Molecular Weight |
449.503
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| Canonical SMILES |
COc1cc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccccc1
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| InChI |
InChI=1S/C25H20FNO4S/c1-30-22-13-19(9-12-21(22)31-16-18-5-3-2-4-6-18)14-23-24(28)27(25(29)32-23)15-17-7-10-20(26)11-8-17/h2-14H,15-16H2,1H3/b23-14-
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| InChIKey |
BMEZXIZUIMZICR-UCQKPKSFSA-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