General Information of the Compound
| Compound ID |
CP0460348
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| Compound Name |
3-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]benzonitrile
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| Structure |
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| Formula |
C15H9N3OS2
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| Molecular Weight |
311.391
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| Canonical SMILES |
O=C1NC(=S)N\C1=C\c1ccc(s1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C15H9N3OS2/c16-8-9-2-1-3-10(6-9)13-5-4-11(21-13)7-12-14(19)18-15(20)17-12/h1-7H,(H2,17,18,19,20)/b12-7+
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| InChIKey |
KXYGPGRNZVXKSD-KPKJPENVSA-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