General Information of the Compound
| Compound ID |
CP0127131
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| Compound Name |
6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine
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| Structure |
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| Formula |
C16H15N5
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| Molecular Weight |
277.331
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| Canonical SMILES |
Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccccc1
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| InChI |
InChI=1S/C16H15N5/c1-10-8-13(9-11(2)18-10)15-14(19-16(17)21-20-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,19,21)
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| InChIKey |
SORFNYWLKDSNNF-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