General Information of the Compound
| Compound ID |
CP0428355
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| Compound Name |
methyl 4-[[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoate
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| Structure |
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| Formula |
C27H23NO6S
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| Molecular Weight |
489.549
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| Canonical SMILES |
COC(=O)c1ccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccccc4)C3=O)cc2OC)cc1
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| InChI |
InChI=1S/C27H23NO6S/c1-32-23-14-20(10-13-22(23)34-17-19-8-11-21(12-9-19)26(30)33-2)15-24-25(29)28(27(31)35-24)16-18-6-4-3-5-7-18/h3-15H,16-17H2,1-2H3/b24-15-
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| InChIKey |
OAUUDRJLVWNJBA-IWIPYMOSSA-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