General Information of the Compound
| Compound ID |
CP0471025
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| Compound Name |
3-benzyl-5-(4-(benzyloxy)-3-methoxybenzylidene)thiazolidine-2,4-dione
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| Structure |
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| Formula |
C25H21NO4S
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| Molecular Weight |
431.513
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| Canonical SMILES |
COc1cc(\C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1
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| InChI |
InChI=1S/C25H21NO4S/c1-29-22-14-20(12-13-21(22)30-17-19-10-6-3-7-11-19)15-23-24(27)26(25(28)31-23)16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3/b23-15-
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| InChIKey |
UPUROXXFYNDNMU-HAHDFKILSA-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