General Information of the Compound
| Compound ID |
CP0839419
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| Compound Name |
5-{4-[3-(Benzooxazol-2-yl-methyl-amino)-propoxy]-benzyl}-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C21H21N3O4S
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| Molecular Weight |
411.483
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| Canonical SMILES |
CN(CCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2o1
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| InChI |
InChI=1S/C21H21N3O4S/c1-24(20-22-16-5-2-3-6-17(16)28-20)11-4-12-27-15-9-7-14(8-10-15)13-18-19(25)23-21(26)29-18/h2-3,5-10,18H,4,11-13H2,1H3,(H,23,25,26)
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| InChIKey |
DWPTVWXVZBYAIW-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