General Information of the Compound
| Compound ID |
CP0392722
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| Compound Name |
N-[5-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1-methylpyrazol-3-yl]-2-phenylacetamide
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| Structure |
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| Formula |
C19H19N7O3
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| Molecular Weight |
393.407
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| Canonical SMILES |
Cn1nc(NC(=O)Cc2ccccc2)cc1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
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| InChI |
InChI=1S/C19H19N7O3/c1-24-17-15(18(28)25(2)19(24)29)21-16(22-17)12-10-13(23-26(12)3)20-14(27)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,21,22)(H,20,23,27)
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| InChIKey |
XLYYVOKOMNMJDU-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