General Information of the Compound
| Compound ID |
CP0186843
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| Compound Name |
5-Butyl-8-(3-methoxy-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine
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| Structure |
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| Formula |
C17H18N6O
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| Molecular Weight |
322.372
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| Canonical SMILES |
CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(OC)c1
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| InChI |
InChI=1S/C17H18N6O/c1-3-4-8-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-5-7-12(9-11)24-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19)
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| InChIKey |
CVFTYEHUWFKCFO-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