General Information of the Compound
| Compound ID |
CP0390545
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| Compound Name |
6-N-cyclohexyl-9-methyl-2-N-phenylpurine-2,6-diamine
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| Structure |
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| Formula |
C18H22N6
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| Molecular Weight |
322.416
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| Canonical SMILES |
Cn1cnc2c(NC3CCCCC3)nc(Nc3ccccc3)nc12
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| InChI |
InChI=1S/C18H22N6/c1-24-12-19-15-16(20-13-8-4-2-5-9-13)22-18(23-17(15)24)21-14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H2,20,21,22,23)
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| InChIKey |
ZLDPIMAJOWKRLI-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