General Information of the Compound
| Compound ID |
CP0950533
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| Compound Name |
5-(4-{3-[1-Biphenyl-4-yl-eth-(E)-ylideneaminooxy]-propoxy}-benzyl)-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C27H26N2O4S
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| Molecular Weight |
474.582
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| Canonical SMILES |
C/C(=N\OCCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccc(-c2ccccc2)cc1
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| InChI |
InChI=1S/C27H26N2O4S/c1-19(21-10-12-23(13-11-21)22-6-3-2-4-7-22)29-33-17-5-16-32-24-14-8-20(9-15-24)18-25-26(30)28-27(31)34-25/h2-4,6-15,25H,5,16-18H2,1H3,(H,28,30,31)/b29-19+
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| InChIKey |
RTWUMNZQXDWRGR-VUTHCHCSSA-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