General Information of the Compound
| Compound ID |
CP0680633
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| Compound Name |
5-(4-((S)-3-(2,4-dichlorophenoxy)-3-phenylpropoxy)benzyl)thiazolidine-2,4-dione
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| Structure |
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| Formula |
C25H21Cl2NO4S
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| Molecular Weight |
502.419
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| Canonical SMILES |
O=C1NC(=O)C(Cc2ccc(OCC[C@H](Oc3ccc(Cl)cc3Cl)c3ccccc3)cc2)S1
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| InChI |
InChI=1S/C25H21Cl2NO4S/c26-18-8-11-22(20(27)15-18)32-21(17-4-2-1-3-5-17)12-13-31-19-9-6-16(7-10-19)14-23-24(29)28-25(30)33-23/h1-11,15,21,23H,12-14H2,(H,28,29,30)/t21-,23?/m0/s1
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| InChIKey |
QLFOQYZBEONRMS-BBQAJUCSSA-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