General Information of the Compound
| Compound ID |
CP0553219
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| Compound Name |
1-[(E)-2-(1,3-thiazol-2-yl)ethenyl]sulfonyl-3-[2-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C13H10F3N3O3S2
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| Molecular Weight |
377.369
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| Canonical SMILES |
FC(F)(F)c1ccccc1NC(=O)NS(=O)(=O)\C=C\c1nccs1
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| InChI |
InChI=1S/C13H10F3N3O3S2/c14-13(15,16)9-3-1-2-4-10(9)18-12(20)19-24(21,22)8-5-11-17-6-7-23-11/h1-8H,(H2,18,19,20)/b8-5+
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| InChIKey |
BXSRFKGTQKWHGO-VMPITWQZSA-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