General Information of the Compound
| Compound ID |
CP0461282
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| Compound Name |
[4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methyl acetate
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| Structure |
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| Formula |
C17H14N2O3S2
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| Molecular Weight |
358.444
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| Canonical SMILES |
CC(=O)OCc1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
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| InChI |
InChI=1S/C17H14N2O3S2/c1-10(20)22-9-11-2-4-12(5-3-11)15-7-6-13(24-15)8-14-16(21)19-17(23)18-14/h2-8H,9H2,1H3,(H2,18,19,21,23)/b14-8+
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| InChIKey |
FKQIOJOOSXUJCH-RIYZIHGNSA-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