General Information of the Compound
| Compound ID |
CP0878762
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| Compound Name |
5-(2-chloro-4-hydroxy-5-methoxybenzylidene)-3-methylthiazolidine-2,4-dione
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| Structure |
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| Formula |
C12H10ClNO4S
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| Molecular Weight |
299.735
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| Canonical SMILES |
COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Cl)cc1O
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| InChI |
InChI=1S/C12H10ClNO4S/c1-14-11(16)10(19-12(14)17)4-6-3-9(18-2)8(15)5-7(6)13/h3-5,15H,1-2H3/b10-4-
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| InChIKey |
NLLRROYKVIAJDC-WMZJFQQLSA-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