General Information of the Compound
| Compound ID |
CP0104551
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| Compound Name |
4-(5-Butyl-3H-[1,2,4]triazolo[5,1-i]purin-8-yl)-phenol
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| Structure |
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| Formula |
C16H16N6O
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| Molecular Weight |
308.345
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| Canonical SMILES |
CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(O)cc1
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| InChI |
InChI=1S/C16H16N6O/c1-2-3-4-12-19-15-13(17-9-18-15)16-20-14(21-22(12)16)10-5-7-11(23)8-6-10/h5-9,23H,2-4H2,1H3,(H,17,18)
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| InChIKey |
XXKZVRKPSOZFQP-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3