General Information of the Compound
| Compound ID |
CP0904222
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| Compound Name |
5-(2-bromo-5-(cyclohexylmethoxy)-4-hydroxybenzylidene)-3-methylthiazolidine-2,4-dione
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| Structure |
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| Formula |
C18H20BrNO4S
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| Molecular Weight |
426.332
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| Canonical SMILES |
CN1C(=O)S/C(=C\c2cc(OCC3CCCCC3)c(O)cc2Br)C1=O
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| InChI |
InChI=1S/C18H20BrNO4S/c1-20-17(22)16(25-18(20)23)8-12-7-15(14(21)9-13(12)19)24-10-11-5-3-2-4-6-11/h7-9,11,21H,2-6,10H2,1H3/b16-8-
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| InChIKey |
IUQCJQMLFZELBR-PXNMLYILSA-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