General Information of the Compound
| Compound ID |
CP0561735
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| Compound Name |
5-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-methyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
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| Structure |
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| Formula |
C20H24F3N5O2S
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| Molecular Weight |
455.506
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| Canonical SMILES |
CNC(=O)c1csc2c(cc(nc12)N1CCN(CC1)C(C)C(=O)NC1CC1)C(F)(F)F
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| InChI |
InChI=1S/C20H24F3N5O2S/c1-11(18(29)25-12-3-4-12)27-5-7-28(8-6-27)15-9-14(20(21,22)23)17-16(26-15)13(10-31-17)19(30)24-2/h9-12H,3-8H2,1-2H3,(H,24,30)(H,25,29)
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| InChIKey |
OQBZQHVJNXTMMU-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