General Information of the Compound
| Compound ID |
CP0429028
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| Compound Name |
N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-methylpyrazol-3-yl]-2-phenylacetamide
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| Structure |
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| Formula |
C23H27N7O3
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| Molecular Weight |
449.515
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccccc2)n(C)n1
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| InChI |
InChI=1S/C23H27N7O3/c1-4-11-29-21-19(22(32)30(12-5-2)23(29)33)25-20(26-21)16-14-17(28(3)27-16)24-18(31)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,24,31)(H,25,26)
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| InChIKey |
AYYASGARJDRQBY-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