General Information of the Compound
| Compound ID |
CP0492838
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| Compound Name |
5-Butyl-2-p-tolyl-[1,2,4]triazolo[1,5-c]quinazoline
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| Structure |
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| Formula |
C20H20N4
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| Molecular Weight |
316.408
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| Canonical SMILES |
CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(C)cc1
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| InChI |
InChI=1S/C20H20N4/c1-3-4-9-18-21-17-8-6-5-7-16(17)20-22-19(23-24(18)20)15-12-10-14(2)11-13-15/h5-8,10-13H,3-4,9H2,1-2H3
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| InChIKey |
BGRNKQLWFCQHRE-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