General Information of the Compound
| Compound ID |
CP0377525
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| Compound Name |
N-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
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| Structure |
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| Formula |
C25H28N6O6
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| Molecular Weight |
508.535
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NN2C(=O)C(C)=C(C)C2=O)cc1
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| InChI |
InChI=1S/C25H28N6O6/c1-5-11-29-21-19(24(35)30(12-6-2)25(29)36)26-20(27-21)16-7-9-17(10-8-16)37-13-18(32)28-31-22(33)14(3)15(4)23(31)34/h7-10H,5-6,11-13H2,1-4H3,(H,26,27)(H,28,32)
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| InChIKey |
NIXWFDNYUWLKLC-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