General Information of the Compound
| Compound ID |
CP0467022
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| Compound Name |
(5E)-5-[[5-(4-methylsulfanylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
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| Structure |
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| Formula |
C15H12N2OS3
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| Molecular Weight |
332.475
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| Canonical SMILES |
CSc1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
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| InChI |
InChI=1S/C15H12N2OS3/c1-20-10-4-2-9(3-5-10)13-7-6-11(21-13)8-12-14(18)17-15(19)16-12/h2-8H,1H3,(H2,16,17,18,19)/b12-8+
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| InChIKey |
OTBQUMUXECMUHW-XYOKQWHBSA-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