General Information of the Compound
| Compound ID |
CP0403468
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| Compound Name |
4-(6-(((6-Methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzo-furan-4-yl)oxy)methyl)pyridin-2-yl)tetrahydro-2H-pyran-4-ol
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| Structure |
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| Formula |
C25H24N4O6S
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| Molecular Weight |
508.556
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(n3)C3(O)CCOCC3)cc(OC)cc2o1
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| InChI |
InChI=1S/C25H24N4O6S/c1-31-16-10-19(34-14-15-4-3-5-22(26-15)25(30)6-8-33-9-7-25)17-12-21(35-20(17)11-16)18-13-29-23(27-18)36-24(28-29)32-2/h3-5,10-13,30H,6-9,14H2,1-2H3
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| InChIKey |
PLEBOGMLJSDEDW-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