General Information of the Compound
| Compound ID |
CP0378156
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| Compound Name |
6-N-cycloheptyl-9-methyl-2-N-phenylpurine-2,6-diamine
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| Structure |
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| Formula |
C19H24N6
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| Molecular Weight |
336.443
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| Canonical SMILES |
Cn1cnc2c(NC3CCCCCC3)nc(Nc3ccccc3)nc12
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| InChI |
InChI=1S/C19H24N6/c1-25-13-20-16-17(21-14-9-5-2-3-6-10-14)23-19(24-18(16)25)22-15-11-7-4-8-12-15/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3,(H2,21,22,23,24)
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| InChIKey |
HXXOYJATCRBRHE-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: PT01279, Adenosine receptor A3