General Information of the Compound
| Compound ID |
CP0446937
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| Compound Name |
(5E)-5-[(5-pyridin-4-ylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
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| Structure |
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| Formula |
C13H9N3OS2
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| Molecular Weight |
287.369
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| Canonical SMILES |
O=C1NC(=S)N\C1=C\c1ccc(s1)-c1ccncc1
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| InChI |
InChI=1S/C13H9N3OS2/c17-12-10(15-13(18)16-12)7-9-1-2-11(19-9)8-3-5-14-6-4-8/h1-7H,(H2,15,16,17,18)/b10-7+
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| InChIKey |
VALWXMQHXJOZQE-JXMROGBWSA-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