General Information of the Compound
| Compound ID |
CP0073595
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| Compound Name |
6-(3,5-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine
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| Structure |
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| Formula |
C17H16N4
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| Molecular Weight |
276.343
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1nnc(N)nc1-c1ccccc1
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| InChI |
InChI=1S/C17H16N4/c1-11-8-12(2)10-14(9-11)16-15(19-17(18)21-20-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,18,19,21)
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| InChIKey |
UDTRKUCMSDMFIR-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