General Information of the Compound
| Compound ID |
CP0673477
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| Compound Name |
1-(4-Methoxyphenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)-sulfonyl)ethanone
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| Structure |
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| Formula |
C12H12N2O4S2
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| Molecular Weight |
312.372
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| Canonical SMILES |
COc1ccc(C(=O)CS(=O)(=O)c2nnc(C)s2)cc1
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| InChI |
InChI=1S/C12H12N2O4S2/c1-8-13-14-12(19-8)20(16,17)7-11(15)9-3-5-10(18-2)6-4-9/h3-6H,7H2,1-2H3
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| InChIKey |
SEZCZVSOERRUJM-UHFFFAOYSA-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