General Information of the Compound
| Compound ID |
CP0556774
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| Compound Name |
1-(2-methoxyethyl)-5-methyl-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid
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| Structure |
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| Formula |
C19H20N2O5S
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| Molecular Weight |
388.445
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| Canonical SMILES |
COCCn1c2sc(C(O)=O)c(C)c2c(=O)n(CCc2ccccc2)c1=O
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| InChI |
InChI=1S/C19H20N2O5S/c1-12-14-16(22)20(9-8-13-6-4-3-5-7-13)19(25)21(10-11-26-2)17(14)27-15(12)18(23)24/h3-7H,8-11H2,1-2H3,(H,23,24)
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| InChIKey |
IAPAIDZWKHYVMP-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