General Information of the Compound
| Compound ID |
CP0861554
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| Compound Name |
1-(4-((6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-4-yloxy)methyl)thiazol-2-yl)-N,N-dimethylmethanamine
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| Structure |
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| Formula |
C21H21N5O4S2
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| Molecular Weight |
471.564
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| Canonical SMILES |
COc1cc(OCc2csc(CN(C)C)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
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| InChI |
InChI=1S/C21H21N5O4S2/c1-25(2)9-19-22-12(11-31-19)10-29-16-5-13(27-3)6-17-14(16)7-18(30-17)15-8-26-20(23-15)32-21(24-26)28-4/h5-8,11H,9-10H2,1-4H3
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| InChIKey |
FXEJGBIMFXHQGH-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