General Information of the Compound
| Compound ID |
CP0853605
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| Compound Name |
N2-benzyl-8-(furan-2-yl)-9-propyl-9H-purine-2,6-diamine
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| Structure |
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| Formula |
C19H20N6O
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| Molecular Weight |
348.41
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| Canonical SMILES |
CCCn1c(-c2ccco2)nc2c(N)nc(NCc3ccccc3)nc21
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| InChI |
InChI=1S/C19H20N6O/c1-2-10-25-17(14-9-6-11-26-14)22-15-16(20)23-19(24-18(15)25)21-12-13-7-4-3-5-8-13/h3-9,11H,2,10,12H2,1H3,(H3,20,21,23,24)
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| InChIKey |
ZUYTYAOCIXZTBJ-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: PT05120, Transmembrane domain-containing protein TMIGD3