General Information of the Compound
| Compound ID |
CP0558089
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| Compound Name |
5-[5-amino-2-[(3-chloro-5-fluoropyridin-2-yl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1H-pyridin-2-one
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| Formula |
C22H15ClFN7O
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| Molecular Weight |
447.861
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| Canonical SMILES |
Nc1nc(-c2ccccc2)c(-c2ccc(=O)[nH]c2)c2nc(Cc3ncc(F)cc3Cl)nn12
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| InChI |
InChI=1S/C22H15ClFN7O/c23-15-8-14(24)11-26-16(15)9-17-28-21-19(13-6-7-18(32)27-10-13)20(12-4-2-1-3-5-12)29-22(25)31(21)30-17/h1-8,10-11H,9H2,(H2,25,29)(H,27,32)
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| InChIKey |
PDXSPZPOZMTADI-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