General Information of the Compound
| Compound ID |
CP0085741
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| Compound Name |
4-({4-[5-(2-methyl-3-phenyl-2-propen-1-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic acid
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| Structure |
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| Formula |
C24H22N2O4S2
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| Molecular Weight |
466.584
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| Canonical SMILES |
C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(cc2)C(O)=O)C1=O)=C/c1ccccc1
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| InChI |
InChI=1S/C24H22N2O4S2/c1-16(14-17-6-3-2-4-7-17)15-20-22(28)26(24(31)32-20)13-5-8-21(27)25-19-11-9-18(10-12-19)23(29)30/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,25,27)(H,29,30)/b16-14+,20-15-
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| InChIKey |
MZEGQCZARRMPMR-GEZYKDBCSA-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
Protein ID: PT03308, G-protein coupled receptor 35
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic