General Information of the Compound
| Compound ID |
CP0109504
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| Compound Name |
5-[[4-[(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C26H22F3NO4S
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| Molecular Weight |
501.526
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| Canonical SMILES |
FC(F)(F)c1ccc(O[C@@H](CCOc2ccc(CC3SC(=O)NC3=O)cc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C26H22F3NO4S/c27-26(28,29)19-8-12-21(13-9-19)34-22(18-4-2-1-3-5-18)14-15-33-20-10-6-17(7-11-20)16-23-24(31)30-25(32)35-23/h1-13,22-23H,14-16H2,(H,30,31,32)/t22-,23?/m0/s1
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| InChIKey |
ZDEFXSHYMSYJBG-NQCNTLBGSA-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