General Information of the Compound
| Compound ID |
CP0460823
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| Compound Name |
N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
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| Structure |
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| Formula |
C24H29N7O5
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| Molecular Weight |
495.54
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(O)c(OC)c2)nn1C
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| InChI |
InChI=1S/C24H29N7O5/c1-5-9-30-22-20(23(34)31(10-6-2)24(30)35)26-21(27-22)15-13-18(28-29(15)3)25-19(33)12-14-7-8-16(32)17(11-14)36-4/h7-8,11,13,32H,5-6,9-10,12H2,1-4H3,(H,26,27)(H,25,28,33)
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| InChIKey |
YYXAWGYLICFAQN-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