General Information of the Compound
| Compound ID |
CP0376493
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| Compound Name |
N-(4-acetylphenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]oxyacetamide
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| Structure |
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| Formula |
C25H29N7O5
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| Molecular Weight |
507.551
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(C)=O)nn1C
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| InChI |
InChI=1S/C25H29N7O5/c1-5-11-31-23-21(24(35)32(12-6-2)25(31)36)27-22(28-23)18-13-20(29-30(18)4)37-14-19(34)26-17-9-7-16(8-10-17)15(3)33/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,26,34)(H,27,28)
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| InChIKey |
FLHLMYZCAXTESZ-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