General Information of the Compound
| Compound ID |
CP0546739
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| Compound Name |
5-(4-bromophenyl)-1,2,4-triazin-3-amine
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| Structure |
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| Formula |
C9H7BrN4
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| Molecular Weight |
251.087
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| Canonical SMILES |
Nc1nncc(n1)-c1ccc(Br)cc1
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| InChI |
InChI=1S/C9H7BrN4/c10-7-3-1-6(2-4-7)8-5-12-14-9(11)13-8/h1-5H,(H2,11,13,14)
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| InChIKey |
YVDVINSIUHWSPX-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