General Information of the Compound
| Compound ID |
CP0850113
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| Compound Name |
5-(2-bromo-3-fluoro-4-hydroxy-5-(pyridin-3-ylmethoxy)benzylidene)-3-methylthiazolidine-2,4-dione
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| Structure |
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| Formula |
C17H12BrFN2O4S
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| Molecular Weight |
439.262
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| Canonical SMILES |
CN1C(=O)S/C(=C\c2cc(OCc3cccnc3)c(O)c(F)c2Br)C1=O
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| InChI |
InChI=1S/C17H12BrFN2O4S/c1-21-16(23)12(26-17(21)24)6-10-5-11(15(22)14(19)13(10)18)25-8-9-3-2-4-20-7-9/h2-7,22H,8H2,1H3/b12-6-
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| InChIKey |
XSLNFYCMQHAUGW-SDQBBNPISA-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