General Information of the Compound
| Compound ID |
CP0294275
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| Compound Name |
4-[4-[(5Z)-5-(4-ethylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid
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| Structure |
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| Formula |
C23H22N2O4S2
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| Molecular Weight |
454.573
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| Canonical SMILES |
CCc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1
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| InChI |
InChI=1S/C23H22N2O4S2/c1-2-15-5-7-16(8-6-15)14-19-21(27)25(23(30)31-19)13-3-4-20(26)24-18-11-9-17(10-12-18)22(28)29/h5-12,14H,2-4,13H2,1H3,(H,24,26)(H,28,29)/b19-14-
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| InChIKey |
PITVDYLNTHZLRC-RGEXLXHISA-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