General Information of the Compound
| Compound ID |
CP0415989
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| Compound Name |
6-(imidazol-1-ylmethyl)-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C22H24N4O3S
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| Molecular Weight |
424.526
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| Canonical SMILES |
COCCn1c2sc(Cn3ccnc3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
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| InChI |
InChI=1S/C22H24N4O3S/c1-16-18(14-24-11-9-23-15-24)30-21-19(16)20(27)25(22(28)26(21)12-13-29-2)10-8-17-6-4-3-5-7-17/h3-7,9,11,15H,8,10,12-14H2,1-2H3
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| InChIKey |
ZSMAKOUUFPRLMI-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