General Information of the Compound
| Compound ID |
CP0415979
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| Compound Name |
3-ethyl-6-(3-hydroxyazetidine-1-carbonyl)-5-methyl-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C16H18F3N3O4S
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| Molecular Weight |
405.398
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| Canonical SMILES |
CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CC(O)C3)c(C)c2c1=O
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| InChI |
InChI=1S/C16H18F3N3O4S/c1-3-21-12(24)10-8(2)11(13(25)20-6-9(23)7-20)27-14(10)22(15(21)26)5-4-16(17,18)19/h9,23H,3-7H2,1-2H3
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| InChIKey |
IGDFSLKRDHJVJN-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