General Information of the Compound
| Compound ID |
CP0414024
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| Compound Name |
5-methyl-1-(oxolan-2-ylmethyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C20H22N2O3S
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| Molecular Weight |
370.474
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| Canonical SMILES |
Cc1csc2n(CC3CCCO3)c(=O)n(CCc3ccccc3)c(=O)c12
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| InChI |
InChI=1S/C20H22N2O3S/c1-14-13-26-19-17(14)18(23)21(10-9-15-6-3-2-4-7-15)20(24)22(19)12-16-8-5-11-25-16/h2-4,6-7,13,16H,5,8-12H2,1H3
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| InChIKey |
SHIWQBRKEVPYAV-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