General Information of the Compound
| Compound ID |
CP0480462
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| Compound Name |
8-[2-methyl-5-(7H-purin-8-ylmethoxy)pyrazol-3-yl]-1,3-dipropyl-7H-purine-2,6-dione
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| Structure |
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| Formula |
C21H24N10O3
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| Molecular Weight |
464.49
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ncncc3[nH]2)nn1C
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| InChI |
InChI=1S/C21H24N10O3/c1-4-6-30-19-16(20(32)31(7-5-2)21(30)33)26-18(27-19)13-8-15(28-29(13)3)34-10-14-24-12-9-22-11-23-17(12)25-14/h8-9,11H,4-7,10H2,1-3H3,(H,26,27)(H,22,23,24,25)
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| InChIKey |
QXSSAXJZEFGCLX-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