General Information of the Compound
| Compound ID |
CP0426029
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| Compound Name |
N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
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| Structure |
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| Formula |
C26H33N7O6
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| Molecular Weight |
539.593
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)nn1C
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| InChI |
InChI=1S/C26H33N7O6/c1-7-9-32-24-21(25(35)33(10-8-2)26(32)36)28-23(29-24)16-14-19(30-31(16)3)27-20(34)13-15-11-17(37-4)22(39-6)18(12-15)38-5/h11-12,14H,7-10,13H2,1-6H3,(H,28,29)(H,27,30,34)
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| InChIKey |
SWNCDUVTFABVRO-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