General Information of the Compound
| Compound ID |
CP0430234
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| Compound Name |
8-(5-Amino-1-methyl-1H-pyrazol-3-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C15H21N7O2
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| Molecular Weight |
331.38
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(N)n(C)n1
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| InChI |
InChI=1S/C15H21N7O2/c1-4-6-21-13-11(14(23)22(7-5-2)15(21)24)17-12(18-13)9-8-10(16)20(3)19-9/h8H,4-7,16H2,1-3H3,(H,17,18)
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| InChIKey |
WBHQSNZTNHUEAG-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