General Information of the Compound
Compound ID |
CP0533353
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Compound Name |
5-(4-(benzyloxy)-3-methoxybenzylidene)-3-(4-nitrobenzyl)thiazolidine-2,4-dione
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Structure |
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Formula |
C25H20N2O6S
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Molecular Weight |
476.51
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Canonical SMILES |
COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)[N+]([O-])=O)C2=O)ccc1OCc1ccccc1
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InChI |
InChI=1S/C25H20N2O6S/c1-32-22-13-19(9-12-21(22)33-16-18-5-3-2-4-6-18)14-23-24(28)26(25(29)34-23)15-17-7-10-20(11-8-17)27(30)31/h2-14H,15-16H2,1H3/b23-14-
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InChIKey |
LWDKTDNZYPYJFO-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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