General Information of the Compound
| Compound ID |
CP0384264
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| Compound Name |
(5-methylthiophen-2-yl)(2-(pyrimidin-4-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl)methanone
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| Structure |
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| Formula |
C17H13N5OS2
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| Molecular Weight |
367.459
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| Canonical SMILES |
Cc1ccc(s1)C(=O)c1nc(NCc2ccncn2)nc2ccsc12
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| InChI |
InChI=1S/C17H13N5OS2/c1-10-2-3-13(25-10)15(23)14-16-12(5-7-24-16)21-17(22-14)19-8-11-4-6-18-9-20-11/h2-7,9H,8H2,1H3,(H,19,21,22)
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| InChIKey |
SFYCKRAOKBZQQD-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b