General Information of the Compound
| Compound ID |
CP0406004
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| Compound Name |
N-[8-(furan-2-yl)-9-methylpurin-6-yl]-2-(4-phenylmethoxyphenyl)acetamide
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| Structure |
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| Formula |
C25H21N5O3
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| Molecular Weight |
439.475
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| Canonical SMILES |
Cn1c(nc2c(NC(=O)Cc3ccc(OCc4ccccc4)cc3)ncnc12)-c1ccco1
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| InChI |
InChI=1S/C25H21N5O3/c1-30-24(20-8-5-13-32-20)29-22-23(26-16-27-25(22)30)28-21(31)14-17-9-11-19(12-10-17)33-15-18-6-3-2-4-7-18/h2-13,16H,14-15H2,1H3,(H,26,27,28,31)
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| InChIKey |
QVZCNOLUHYEZHK-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