General Information of the Compound
| Compound ID |
CP0397722
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| Compound Name |
2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-(4-trifluoromethyl-phenyl)-acetamide
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| Structure |
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| Formula |
C26H26F3N5O4
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| Molecular Weight |
529.519
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C26H26F3N5O4/c1-3-13-33-23-21(24(36)34(14-4-2)25(33)37)31-22(32-23)16-5-11-19(12-6-16)38-15-20(35)30-18-9-7-17(8-10-18)26(27,28)29/h5-12H,3-4,13-15H2,1-2H3,(H,30,35)(H,31,32)
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| InChIKey |
GZUNHVCICSYXEN-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