General Information of the Compound
| Compound ID |
CP0412438
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| Compound Name |
N-cyclopentyl-8-(4-methoxyphenyl)-9-methylpurin-6-amine
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| Structure |
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| Formula |
C18H21N5O
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| Molecular Weight |
323.4
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| Canonical SMILES |
COc1ccc(cc1)-c1nc2c(NC3CCCC3)ncnc2n1C
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| InChI |
InChI=1S/C18H21N5O/c1-23-17(12-7-9-14(24-2)10-8-12)22-15-16(19-11-20-18(15)23)21-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3,(H,19,20,21)
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| InChIKey |
AREAFDXDOTXHCT-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