General Information of the Compound
| Compound ID |
CP0201120
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| Compound Name |
8-cyclopentyl-2-(3,4-difluorophenoxy)-1-propyl-7H-purin-6-one
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| Structure |
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| Formula |
C19H20F2N4O2
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| Molecular Weight |
374.391
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| Canonical SMILES |
CCCn1c(Oc2ccc(F)c(F)c2)nc2nc([nH]c2c1=O)C1CCCC1
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| InChI |
InChI=1S/C19H20F2N4O2/c1-2-9-25-18(26)15-17(23-16(22-15)11-5-3-4-6-11)24-19(25)27-12-7-8-13(20)14(21)10-12/h7-8,10-11H,2-6,9H2,1H3,(H,22,23)
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| InChIKey |
UUGKUAPXWUSTOD-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