General Information of the Compound
| Compound ID |
CP0385871
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| Compound Name |
N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide
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| Structure |
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| Formula |
C17H15N7O2
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| Molecular Weight |
349.354
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| Canonical SMILES |
CNc1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
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| InChI |
InChI=1S/C17H15N7O2/c1-18-15-21-16(19-13(25)10-11-6-3-2-4-7-11)24-17(22-15)20-14(23-24)12-8-5-9-26-12/h2-9H,10H2,1H3,(H2,18,19,20,21,22,23,25)
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| InChIKey |
UIJTUNGBZZGOBB-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