General Information of the Compound
| Compound ID |
CP0468154
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| Compound Name |
N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
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| Structure |
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| Formula |
C21H15FN6O2
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| Molecular Weight |
402.389
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| Canonical SMILES |
Fc1ccc(CNc2nc(Oc3ccccc3)nc3nc(nn23)-c2ccco2)cc1
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| InChI |
InChI=1S/C21H15FN6O2/c22-15-10-8-14(9-11-15)13-23-19-25-21(30-16-5-2-1-3-6-16)26-20-24-18(27-28(19)20)17-7-4-12-29-17/h1-12H,13H2,(H,23,24,25,26,27)
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| InChIKey |
OREYFLNDMNRUND-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