General Information of the Compound
| Compound ID |
CP0415011
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| Compound Name |
5-Butyl-2-(4-ethoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
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| Structure |
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| Formula |
C21H22N4O
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| Molecular Weight |
346.434
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| Canonical SMILES |
CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(OCC)cc1
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| InChI |
InChI=1S/C21H22N4O/c1-3-5-10-19-22-18-9-7-6-8-17(18)21-23-20(24-25(19)21)15-11-13-16(14-12-15)26-4-2/h6-9,11-14H,3-5,10H2,1-2H3
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| InChIKey |
VRBZTHOUWWMMHJ-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