General Information of the Compound
| Compound ID |
CP0446837
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| Compound Name |
6-[(2-bromophenyl)methyl]-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
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| Structure |
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| Formula |
C16H16BrN5O2
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| Molecular Weight |
390.241
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| Canonical SMILES |
Cn1c2nc3N(Cc4ccccc4Br)CCn3c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C16H16BrN5O2/c1-19-13-12(14(23)20(2)16(19)24)22-8-7-21(15(22)18-13)9-10-5-3-4-6-11(10)17/h3-6H,7-9H2,1-2H3
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| InChIKey |
PABAXIXJXJGVMS-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