General Information of the Compound
| Compound ID |
CP0573987
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| Compound Name |
5-[5-amino-2-[(3-fluoropyridin-2-yl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
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| Formula |
C23H18FN7O
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| Molecular Weight |
427.443
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| Canonical SMILES |
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccccc1
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| InChI |
InChI=1S/C23H18FN7O/c1-30-13-15(9-10-19(30)32)20-21(14-6-3-2-4-7-14)28-23(25)31-22(20)27-18(29-31)12-17-16(24)8-5-11-26-17/h2-11,13H,12H2,1H3,(H2,25,28)
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| InChIKey |
ZSELLWZFERGIPM-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b