General Information of the Compound
| Compound ID |
CP0530446
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| Compound Name |
6-(5-(naphthalen-1-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid
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| Structure |
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| Formula |
C20H19NO3S2
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| Molecular Weight |
385.51
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| Canonical SMILES |
OC(=O)CCCCCN1C(=S)S\C(=C\c2cccc3ccccc23)C1=O
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| InChI |
InChI=1S/C20H19NO3S2/c22-18(23)11-2-1-5-12-21-19(24)17(26-20(21)25)13-15-9-6-8-14-7-3-4-10-16(14)15/h3-4,6-10,13H,1-2,5,11-12H2,(H,22,23)/b17-13+
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| InChIKey |
PKMHMWGVNCYMTB-GHRIWEEISA-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