General Information of the Compound
| Compound ID |
CP0390932
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| Compound Name |
(5-methylthiophen-2-yl)(2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl)methanone
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| Structure |
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| Formula |
C20H17N3OS2
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| Molecular Weight |
379.51
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| Canonical SMILES |
CC(Nc1nc(C(=O)c2ccc(C)s2)c2sccc2n1)c1ccccc1
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| InChI |
InChI=1S/C20H17N3OS2/c1-12-8-9-16(26-12)18(24)17-19-15(10-11-25-19)22-20(23-17)21-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,21,22,23)
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| InChIKey |
MLKMPNVJTQCFQV-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