General Information of the Compound
| Compound ID |
CP0547814
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| Compound Name |
N-Benzyl-2-(2-(methylthio)imidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-6-carboxamide
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| Structure |
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| Formula |
C21H16N4O2S2
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| Molecular Weight |
420.519
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| Canonical SMILES |
CSc1nn2cc(nc2s1)-c1cc2ccc(cc2o1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C21H16N4O2S2/c1-28-21-24-25-12-16(23-20(25)29-21)18-9-14-7-8-15(10-17(14)27-18)19(26)22-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,22,26)
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| InChIKey |
XQDLIDIUOCKRGM-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