General Information of the Compound
| Compound ID |
CP0555874
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| Compound Name |
5-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
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| Structure |
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| Formula |
C21H29F3N4O3S
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| Molecular Weight |
474.549
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| Canonical SMILES |
CNC(=O)c1csc2c(cc(nc12)N1CCN(CC(O)COC(C)(C)C)CC1)C(F)(F)F
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| InChI |
InChI=1S/C21H29F3N4O3S/c1-20(2,3)31-11-13(29)10-27-5-7-28(8-6-27)16-9-15(21(22,23)24)18-17(26-16)14(12-32-18)19(30)25-4/h9,12-13,29H,5-8,10-11H2,1-4H3,(H,25,30)
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| InChIKey |
ZYBJFEVUVOJYBE-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