General Information of the Compound
| Compound ID |
CP0552689
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| Compound Name |
3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]benzonitrile
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| Structure |
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| Formula |
C22H16N4O4S
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| Molecular Weight |
432.461
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)C#N)cc(OC)cc2o1
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| InChI |
InChI=1S/C22H16N4O4S/c1-27-15-7-18(29-12-14-5-3-4-13(6-14)10-23)16-9-20(30-19(16)8-15)17-11-26-21(24-17)31-22(25-26)28-2/h3-9,11H,12H2,1-2H3
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| InChIKey |
CXZNJYJVQSTLTR-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