General Information of the Compound
| Compound ID |
CP0461881
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| Compound Name |
3-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]benzamide
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| Structure |
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| Formula |
C15H11N3O2S2
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| Molecular Weight |
329.406
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| Canonical SMILES |
NC(=O)c1cccc(c1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
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| InChI |
InChI=1S/C15H11N3O2S2/c16-13(19)9-3-1-2-8(6-9)12-5-4-10(22-12)7-11-14(20)18-15(21)17-11/h1-7H,(H2,16,19)(H2,17,18,20,21)/b11-7+
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| InChIKey |
CZUZTXUCIYGWGO-YRNVUSSQSA-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