General Information of the Compound
| Compound ID |
CP0059859
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| Compound Name |
1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione
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| Synonyms |
1,3-Dimethyl-8-phenylxanthine
1,3-dimethyl-8-phenyl-1H-purine-2,6(3H,7H)-dione
1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-8-phenyl-7H-purine-2,6-dione
1H-Purine-2,6-dione, 2,3,6,7-tetrahydro-1,3-dimethyl-8-phenyl-
8-PHENYL THEOPHYLLINE
8-PT
8-Phenyl-1,3-dimethylxanthine
8-Phenyltheophylline
961-45-5
AC1L1CIX
BDBM82015
CHEMBL62350
DTXSID90242119
E6M543P3BL
Lopac-P-2278
Lopac0_000917
MFCD00005582
MLS000069624
MolPort-002-605-303
NSC 14127
Oprea1_390706
SCHEMBL516432
Theophylline, 8-phenyl-
UNII-E6M543P3BL
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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 |
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
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| InChI |
InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)
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| InChIKey |
PJFMAVHETLRJHJ-UHFFFAOYSA-N
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| CAS |
961-45-5
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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: PT01278, Adenosine receptor A2b
Clinical Information about the Compound