General Information of the Compound
| Compound ID |
CP0672920
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| Compound Name |
4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-methoxyphenoxy]-naphthalene-1-carboxylic Acid Methyl Ester
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| Structure |
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| Formula |
C23H17NO6S
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| Molecular Weight |
435.457
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| Canonical SMILES |
COC(=O)c1ccc(Oc2ccc(/C=C3\SC(=O)NC3=O)cc2OC)c2ccccc12
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| InChI |
InChI=1S/C23H17NO6S/c1-28-19-11-13(12-20-21(25)24-23(27)31-20)7-9-18(19)30-17-10-8-16(22(26)29-2)14-5-3-4-6-15(14)17/h3-12H,1-2H3,(H,24,25,27)/b20-12-
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| InChIKey |
LHEAAXNLFNVCGK-NDENLUEZSA-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