General Information of the Compound
| Compound ID |
CP0417218
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| Compound Name |
6-(4-((3-(6-Chloropyridin-3-yl)-5-methoxybenzyl)oxy)-6-methoxybenzofuran-2-yl)-2-methoxyimidazo[2,1b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C27H21ClN4O5S
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| Molecular Weight |
549.008
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cc(OC)cc(c3)-c3ccc(Cl)nc3)cc(OC)cc2o1
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| InChI |
InChI=1S/C27H21ClN4O5S/c1-33-18-7-15(6-17(8-18)16-4-5-25(28)29-12-16)14-36-22-9-19(34-2)10-23-20(22)11-24(37-23)21-13-32-26(30-21)38-27(31-32)35-3/h4-13H,14H2,1-3H3
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| InChIKey |
TVFXAXSHOKOXKP-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