General Information of the Compound
| Compound ID |
CP0544445
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| Compound Name |
2-Methoxy-6-(6-methoxy-4-((6-(4-methoxytetrahydro-2H-pyran-4-yl)pyridin-2-yl)methoxy)benzofuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C26H26N4O6S
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| Molecular Weight |
522.583
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(n3)C3(CCOCC3)OC)cc(OC)cc2o1
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| InChI |
InChI=1S/C26H26N4O6S/c1-31-17-11-20(35-15-16-5-4-6-23(27-16)26(33-3)7-9-34-10-8-26)18-13-22(36-21(18)12-17)19-14-30-24(28-19)37-25(29-30)32-2/h4-6,11-14H,7-10,15H2,1-3H3
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| InChIKey |
AOERGMCIEVXOCP-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