General Information of the Compound
| Compound ID |
CP0547196
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| Compound Name |
3-benzyl-1-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C17H18N2O3S
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| Molecular Weight |
330.409
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| Canonical SMILES |
COCCn1c2scc(C)c2c(=O)n(Cc2ccccc2)c1=O
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| InChI |
InChI=1S/C17H18N2O3S/c1-12-11-23-16-14(12)15(20)19(10-13-6-4-3-5-7-13)17(21)18(16)8-9-22-2/h3-7,11H,8-10H2,1-2H3
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| InChIKey |
NVBIJVMAIGHHFX-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