General Information of the Compound
| Compound ID |
CP0485837
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| Compound Name |
N-(2-chlorophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetamide
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| Structure |
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| Formula |
C22H24ClN7O3
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| Molecular Weight |
469.933
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)Nc2ccccc2Cl)c1
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| InChI |
InChI=1S/C22H24ClN7O3/c1-3-9-29-20-18(21(32)30(10-4-2)22(29)33)26-19(27-20)14-11-24-28(12-14)13-17(31)25-16-8-6-5-7-15(16)23/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,25,31)(H,26,27)
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| InChIKey |
VGQQNYGQHGACFL-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