General Information of the Compound
| Compound ID |
CP0570037
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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]phenyl]methanol
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| Structure |
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| Formula |
C22H19N3O5S
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| Molecular Weight |
437.477
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(CO)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C22H19N3O5S/c1-27-15-7-18(29-12-14-5-3-4-13(6-14)11-26)16-9-20(30-19(16)8-15)17-10-25-21(23-17)31-22(24-25)28-2/h3-10,26H,11-12H2,1-2H3
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| InChIKey |
MWYSDRPEACNXGM-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