General Information of the Compound
| Compound ID |
CP0489123
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| Compound Name |
N-[5-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide
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| Structure |
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| Formula |
C25H21N5OS2
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| Molecular Weight |
471.611
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| Canonical SMILES |
Cc1sc2nc(nc(N)c2c1C)-c1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccccc1
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| InChI |
InChI=1S/C25H21N5OS2/c1-13-9-11-17(12-10-13)23(31)30-25-27-19(16-7-5-4-6-8-16)20(33-25)22-28-21(26)18-14(2)15(3)32-24(18)29-22/h4-12H,1-3H3,(H2,26,28,29)(H,27,30,31)
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| InChIKey |
SZQJVPMLURSEFZ-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3