General Information of the Compound
| Compound ID |
CP0469903
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| Compound Name |
5-(4-(benzyloxy)benzylidene)-3-(4-tert-butylbenzyl)thiazolidine-2,4-dione
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| Structure |
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| Formula |
C28H27NO3S
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| Molecular Weight |
457.595
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| Canonical SMILES |
CC(C)(C)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1
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| InChI |
InChI=1S/C28H27NO3S/c1-28(2,3)23-13-9-21(10-14-23)18-29-26(30)25(33-27(29)31)17-20-11-15-24(16-12-20)32-19-22-7-5-4-6-8-22/h4-17H,18-19H2,1-3H3/b25-17-
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| InChIKey |
GTHBMWMHNPLBMS-UQQQWYQISA-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