General Information of the Compound
| Compound ID |
CP0393013
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| Compound Name |
N-cyclohexyl-8-phenyl-9-propylpurin-6-amine
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| Structure |
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| Formula |
C20H25N5
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| Molecular Weight |
335.455
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| Canonical SMILES |
CCCn1c(nc2c(NC3CCCCC3)ncnc12)-c1ccccc1
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| InChI |
InChI=1S/C20H25N5/c1-2-13-25-19(15-9-5-3-6-10-15)24-17-18(21-14-22-20(17)25)23-16-11-7-4-8-12-16/h3,5-6,9-10,14,16H,2,4,7-8,11-13H2,1H3,(H,21,22,23)
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| InChIKey |
ZDQIJRMPWIWFPQ-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