General Information of the Compound
| Compound ID |
CP0074754
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| Compound Name |
5-[[4-[(3S)-3-(3-methoxyphenoxy)-3-phenylpropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C26H25NO5S
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| Molecular Weight |
463.555
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| Canonical SMILES |
COc1cccc(O[C@@H](CCOc2ccc(CC3SC(=O)NC3=O)cc2)c2ccccc2)c1
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| InChI |
InChI=1S/C26H25NO5S/c1-30-21-8-5-9-22(17-21)32-23(19-6-3-2-4-7-19)14-15-31-20-12-10-18(11-13-20)16-24-25(28)27-26(29)33-24/h2-13,17,23-24H,14-16H2,1H3,(H,27,28,29)/t23-,24?/m0/s1
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| InChIKey |
GVXPKAKTYNZKMQ-UXMRNZNESA-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