General Information of the Compound
| Compound ID |
CP0871533
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| Compound Name |
8-(Furan-2-yl)-N-(3-phenylpropyl)-9-propyl-9H-purin-6-amine
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| Structure |
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| Formula |
C21H23N5O
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| Molecular Weight |
361.449
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| Canonical SMILES |
CCCn1c(-c2ccco2)nc2c(NCCCc3ccccc3)ncnc21
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| InChI |
InChI=1S/C21H23N5O/c1-2-13-26-20(17-11-7-14-27-17)25-18-19(23-15-24-21(18)26)22-12-6-10-16-8-4-3-5-9-16/h3-5,7-9,11,14-15H,2,6,10,12-13H2,1H3,(H,22,23,24)
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| InChIKey |
KWEBXLGAMBZZSQ-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