General Information of the Compound
| Compound ID |
CP0462995
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| Compound Name |
2-(3-bromo-4-fluoro-phenyl)-1,1-dioxo-3-(2-pyridin-2-yl-ethyl)-1lambda*6*-thiazolidin-4-one
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| Structure |
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| Formula |
C16H14BrFN2O3S
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| Molecular Weight |
413.268
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| Canonical SMILES |
Fc1ccc(cc1Br)C1N(CCc2ccccn2)C(=O)CS1(=O)=O
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| InChI |
InChI=1S/C16H14BrFN2O3S/c17-13-9-11(4-5-14(13)18)16-20(15(21)10-24(16,22)23)8-6-12-3-1-2-7-19-12/h1-5,7,9,16H,6,8,10H2
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| InChIKey |
LZDOLKAKSWKCJL-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