General Information of the Compound
| Compound ID |
CP0372400
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| Compound Name |
4-((4-((3-benzyl-2,4-dioxothiazolidin-5-ylidene)methyl)-2-ethoxyphenoxy)methyl)benzoic acid
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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 |
CCOc1cc(\C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C27H23NO6S/c1-2-33-23-14-20(10-13-22(23)34-17-19-8-11-21(12-9-19)26(30)31)15-24-25(29)28(27(32)35-24)16-18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,30,31)/b24-15-
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| InChIKey |
UKXGHNWBPSNSHT-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