General Information of the Compound
| Compound ID |
CP0388036
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| Compound Name |
N-[4-(dimethylamino)phenyl]-2-[4-[1-ethyl-3-(3-methoxypropyl)-2,6-dioxo-7H-purin-8-yl]phenoxy]acetamide
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| Structure |
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| Formula |
C27H32N6O5
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| Molecular Weight |
520.59
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| Canonical SMILES |
CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)N(C)C)cc1
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| InChI |
InChI=1S/C27H32N6O5/c1-5-32-26(35)23-25(33(27(32)36)15-6-16-37-4)30-24(29-23)18-7-13-21(14-8-18)38-17-22(34)28-19-9-11-20(12-10-19)31(2)3/h7-14H,5-6,15-17H2,1-4H3,(H,28,34)(H,29,30)
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| InChIKey |
KQMNNGBXJHFJAC-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
Protein ID: PT01279, Adenosine receptor A3