General Information of the Compound
| Compound ID |
CP0124907
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| Compound Name |
6-(3,5-dichlorophenyl)-5-phenyl-1,2,4-triazin-3-amine
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| Structure |
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| Formula |
C15H10Cl2N4
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| Molecular Weight |
317.179
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| Canonical SMILES |
Nc1nnc(-c2cc(Cl)cc(Cl)c2)c(n1)-c1ccccc1
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| InChI |
InChI=1S/C15H10Cl2N4/c16-11-6-10(7-12(17)8-11)14-13(19-15(18)21-20-14)9-4-2-1-3-5-9/h1-8H,(H2,18,19,21)
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| InChIKey |
HMAOALRIGFSFDY-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