General Information of the Compound
| Compound ID |
CP0550803
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| Compound Name |
(R)-6-(4-((2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy)-6-methoxybenzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C20H21N3O6S
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| Molecular Weight |
431.47
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OC[C@@H]3COC(C)(C)O3)cc(OC)cc2o1
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| InChI |
InChI=1S/C20H21N3O6S/c1-20(2)27-10-12(29-20)9-26-15-5-11(24-3)6-16-13(15)7-17(28-16)14-8-23-18(21-14)30-19(22-23)25-4/h5-8,12H,9-10H2,1-4H3/t12-/m1/s1
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| InChIKey |
SMWNVXCHQLZZEO-GFCCVEGCSA-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