General Information of the Compound
| Compound ID |
CP0513717
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| Compound Name |
2-(dimethylamino)ethyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate
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| Structure |
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| Formula |
C19H24N2O4S2
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| Molecular Weight |
408.545
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| Canonical SMILES |
COc1ccc(\C=C2\SC(=S)N(CCCC(=O)OCCN(C)C)C2=O)cc1
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| InChI |
InChI=1S/C19H24N2O4S2/c1-20(2)11-12-25-17(22)5-4-10-21-18(23)16(27-19(21)26)13-14-6-8-15(24-3)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3/b16-13+
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| InChIKey |
ZFJANJXGVHAPFC-DTQAZKPQSA-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