General Information of the Compound
| Compound ID |
CP0407840
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| Compound Name |
3-ethyl-1-propyl-8-(1-((pyridin-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione
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| Structure |
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| Formula |
C18H19N7O2
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| Molecular Weight |
365.397
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| Canonical SMILES |
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1cccnc1
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| InChI |
InChI=1S/C18H19N7O2/c1-3-8-24-17(26)14-16(23(4-2)18(24)27)22-15(21-14)12-9-20-25(11-12)13-6-5-7-19-10-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,21,22)
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| InChIKey |
ODPMHVSWDDFIKK-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