General Information of the Compound
| Compound ID |
CP0967673
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| Compound Name |
6-(6-Chloro-4-((2-(4-fluorotetrahydro-2H-pyran-4-yl)thiazol-4-yl)methoxy)benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C22H19ClN4O5S2
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| Molecular Weight |
519.004
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| Canonical SMILES |
COc1nn2cc(-c3cc4c(OCc5csc(C6(O)CCOCC6)n5)cc(Cl)cc4o3)nc2s1
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| InChI |
InChI=1S/C22H19ClN4O5S2/c1-29-21-26-27-9-15(25-20(27)34-21)18-8-14-16(6-12(23)7-17(14)32-18)31-10-13-11-33-19(24-13)22(28)2-4-30-5-3-22/h6-9,11,28H,2-5,10H2,1H3
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| InChIKey |
ZLUQBDUIMSISLT-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