General Information of the Compound
| Compound ID |
CP0552655
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| Compound Name |
3-(3,3-difluoroprop-2-enyl)-1-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C13H14F2N2O3S
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| Molecular Weight |
316.329
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| Canonical SMILES |
COCCn1c2scc(C)c2c(=O)n(CC=C(F)F)c1=O
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| InChI |
InChI=1S/C13H14F2N2O3S/c1-8-7-21-12-10(8)11(18)16(4-3-9(14)15)13(19)17(12)5-6-20-2/h3,7H,4-6H2,1-2H3
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| InChIKey |
CNPJJPZPLHJPOH-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