General Information of the Compound
| Compound ID |
CP0447828
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| Compound Name |
6-ethyl-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C13H11N3OS
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| Molecular Weight |
257.318
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| Canonical SMILES |
CCc1cc2c(O)nc(nc2s1)-c1ccncc1
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| InChI |
InChI=1S/C13H11N3OS/c1-2-9-7-10-12(17)15-11(16-13(10)18-9)8-3-5-14-6-4-8/h3-7H,2H2,1H3,(H,15,16,17)
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| InChIKey |
CQNHHXUEBNQNGZ-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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT05120, Transmembrane domain-containing protein TMIGD3