General Information of the Compound
| Compound ID |
CP0299690
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| Compound Name |
1-Phenethyl-3,7-dihydro-purine-2,6-dione
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| Synonyms |
1-Phenethyl-3,7-dihydro-purine-2,6-dione
BDBM50042215
CHEMBL67949
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| Structure |
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| Formula |
C13H12N4O2
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| Molecular Weight |
256.265
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| Canonical SMILES |
O=c1[nH]c2nc[nH]c2c(=O)n1CCc1ccccc1
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| InChI |
InChI=1S/C13H12N4O2/c18-12-10-11(15-8-14-10)16-13(19)17(12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)(H,16,19)
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| InChIKey |
WZIAGOQSFXTMAJ-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
Clinical Information about the Compound