General Information of the Compound
| Compound ID |
CP0546277
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| Compound Name |
2-(Dimethylamino)-N-(4-(4-(((6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-4-yl)oxy)methyl)-thiazol-2-yl)tetrahydro-2H-pyran-4-yl)acetamide
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| Structure |
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| Formula |
C27H30N6O6S2
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| Molecular Weight |
598.707
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(CCOCC3)NC(=O)CN(C)C)cc(OC)cc2o1
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| InChI |
InChI=1S/C27H30N6O6S2/c1-32(2)13-23(34)30-27(5-7-37-8-6-27)24-28-16(15-40-24)14-38-20-9-17(35-3)10-21-18(20)11-22(39-21)19-12-33-25(29-19)41-26(31-33)36-4/h9-12,15H,5-8,13-14H2,1-4H3,(H,30,34)
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| InChIKey |
JVZGHCIUYSMHRD-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