General Information of the Compound
| Compound ID |
CP0680631
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| Compound Name |
5-(4-Benzyloxy-benzyl)-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C17H15NO3S
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| Molecular Weight |
313.378
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| Canonical SMILES |
O=C1NC(=O)C(Cc2ccc(OCc3ccccc3)cc2)S1
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| InChI |
InChI=1S/C17H15NO3S/c19-16-15(22-17(20)18-16)10-12-6-8-14(9-7-12)21-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,18,19,20)
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| InChIKey |
UGTRMSWYUSDXMG-UHFFFAOYSA-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