General Information of the Compound
| Compound ID |
CP0391080
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| Compound Name |
ethyl 1-(2-methoxyethyl)-5-methyl-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylate
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| Structure |
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| Formula |
C21H24N2O5S
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| Molecular Weight |
416.499
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| Canonical SMILES |
CCOC(=O)c1sc2n(CCOC)c(=O)n(CCc3ccccc3)c(=O)c2c1C
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| InChI |
InChI=1S/C21H24N2O5S/c1-4-28-20(25)17-14(2)16-18(24)22(11-10-15-8-6-5-7-9-15)21(26)23(12-13-27-3)19(16)29-17/h5-9H,4,10-13H2,1-3H3
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| InChIKey |
XBMBQASBOYYJLV-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