General Information of the Compound
| Compound ID |
CP0680632
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| Compound Name |
5-(4-((S)-3-(4-chlorophenoxy)-3-phenylpropoxy)benzyl)thiazolidine-2,4-dione
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| Structure |
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| Formula |
C25H22ClNO4S
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| Molecular Weight |
467.974
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| Canonical SMILES |
O=C1NC(=O)C(Cc2ccc(OCC[C@H](Oc3ccc(Cl)cc3)c3ccccc3)cc2)S1
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| InChI |
InChI=1S/C25H22ClNO4S/c26-19-8-12-21(13-9-19)31-22(18-4-2-1-3-5-18)14-15-30-20-10-6-17(7-11-20)16-23-24(28)27-25(29)32-23/h1-13,22-23H,14-16H2,(H,27,28,29)/t22-,23?/m0/s1
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| InChIKey |
FGXYHUMUGYXNOX-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