General Information of the Compound
| Compound ID |
CP0099653
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| Compound Name |
3-Methyl-1-(3-phenyl-propyl)-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C15H16N4O2
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| Molecular Weight |
284.319
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| Canonical SMILES |
Cn1c2nc[nH]c2c(=O)n(CCCc2ccccc2)c1=O
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| InChI |
InChI=1S/C15H16N4O2/c1-18-13-12(16-10-17-13)14(20)19(15(18)21)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,17)
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| InChIKey |
OQPVMZLXRVLYHM-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: PT01717, Adenosine receptor A1
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT02131, Adenosine receptor A2b