General Information of the Compound
| Compound ID |
CP0558090
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| Compound Name |
5-[5-amino-2-[(5-methoxypyridin-2-yl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
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| Formula |
C24H21N7O2
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| Molecular Weight |
439.479
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| Canonical SMILES |
COc1ccc(Cc2nc3c(-c4ccc(=O)n(C)c4)c(nc(N)n3n2)-c2ccccc2)nc1
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| InChI |
InChI=1S/C24H21N7O2/c1-30-14-16(8-11-20(30)32)21-22(15-6-4-3-5-7-15)28-24(25)31-23(21)27-19(29-31)12-17-9-10-18(33-2)13-26-17/h3-11,13-14H,12H2,1-2H3,(H2,25,28)
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| InChIKey |
KTEXNEUQDJNGIW-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