General Information of the Compound
| Compound ID |
CP0393016
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| Compound Name |
N-cyclobutyl-9-methyl-8-phenylpurin-6-amine
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| Structure |
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| Formula |
C16H17N5
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| Molecular Weight |
279.347
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| Canonical SMILES |
Cn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1
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| InChI |
InChI=1S/C16H17N5/c1-21-15(11-6-3-2-4-7-11)20-13-14(17-10-18-16(13)21)19-12-8-5-9-12/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,17,18,19)
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| InChIKey |
ZMSLVSDECFRUFH-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