General Information of the Compound
| Compound ID |
CP0554492
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| Compound Name |
5-[5-amino-7-(4-fluorophenyl)-2-[(R)-(3-fluoropyridin-2-yl)-hydroxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
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| Formula |
C23H17F2N7O2
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| Molecular Weight |
461.432
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| Canonical SMILES |
Cn1cc(ccc1=O)-c1c(nc(N)n2nc(nc12)[C@H](O)c1ncccc1F)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H17F2N7O2/c1-31-11-13(6-9-16(31)33)17-18(12-4-7-14(24)8-5-12)28-23(26)32-22(17)29-21(30-32)20(34)19-15(25)3-2-10-27-19/h2-11,20,34H,1H3,(H2,26,28)/t20-/m1/s1
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| InChIKey |
DDIREYKBMODCCJ-HXUWFJFHSA-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