General Information of the Compound
| Compound ID |
CP0376682
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| Compound Name |
2-(4-Bromo-phenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline
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| Structure |
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| Formula |
C19H17BrN4
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| Molecular Weight |
381.277
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| Canonical SMILES |
CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(Br)cc1
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| InChI |
InChI=1S/C19H17BrN4/c1-2-3-8-17-21-16-7-5-4-6-15(16)19-22-18(23-24(17)19)13-9-11-14(20)12-10-13/h4-7,9-12H,2-3,8H2,1H3
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| InChIKey |
WCRWQPZNNMWWDZ-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3