General Information of the Compound
| Compound ID |
CP0408740
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| Compound Name |
6-N-cyclohexyl-2-N-phenyl-7H-purine-2,6-diamine
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| Synonyms |
CHEMBL188592
N*6*-Cyclohexyl-N*2*-phenyl-9H-purine-2,6-diamine
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| Structure |
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| Formula |
C17H20N6
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| Molecular Weight |
308.389
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| Canonical SMILES |
C1CCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12
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| InChI |
InChI=1S/C17H20N6/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)22-17(23-16)21-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H3,18,19,20,21,22,23)
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| InChIKey |
FDFMDLSSHFEJOS-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
Clinical Information about the Compound