General Information of the Compound
| Compound ID |
CP0403741
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| Compound Name |
5-Butyl-9-chloro-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
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| Structure |
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| Formula |
C20H19ClN4O
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| Molecular Weight |
366.852
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| Canonical SMILES |
CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C20H19ClN4O/c1-3-4-5-18-22-17-11-8-14(21)12-16(17)20-23-19(24-25(18)20)13-6-9-15(26-2)10-7-13/h6-12H,3-5H2,1-2H3
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| InChIKey |
RJBNBAZSSSSPMS-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