General Information of the Compound
| Compound ID |
CP0559523
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| Compound Name |
N,N-diethyl-3-(2-methoxyethyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C18H24F3N3O4S
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| Molecular Weight |
435.468
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| Canonical SMILES |
CCN(CC)C(=O)c1sc2n(CCC(F)(F)F)c(=O)n(CCOC)c(=O)c2c1C
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| InChI |
InChI=1S/C18H24F3N3O4S/c1-5-22(6-2)15(26)13-11(3)12-14(25)23(9-10-28-4)17(27)24(16(12)29-13)8-7-18(19,20)21/h5-10H2,1-4H3
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| InChIKey |
YFADZLOBWBWUMO-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