General Information of the Compound
| Compound ID |
CP0408219
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| Compound Name |
1-(6-(3-(((6-Methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-4-yl)oxy)methyl)phenyl)pyridin-3-yl)ethanol
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| Structure |
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| Formula |
C28H24N4O5S
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| Molecular Weight |
528.59
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3ccc(cn3)C(C)O)cc(OC)cc2o1
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| InChI |
InChI=1S/C28H24N4O5S/c1-16(33)19-7-8-22(29-13-19)18-6-4-5-17(9-18)15-36-24-10-20(34-2)11-25-21(24)12-26(37-25)23-14-32-27(30-23)38-28(31-32)35-3/h4-14,16,33H,15H2,1-3H3
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| InChIKey |
NOIBOXXSLWLQIA-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