General Information of the Compound
| Compound ID |
CP0558091
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| Compound Name |
2-(oxolan-2-ylmethyl)-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
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| Formula |
C20H19N7O
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| Molecular Weight |
373.42
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| Canonical SMILES |
Nc1nc(-c2ccccc2)c(-c2ccnnc2)c2nc(CC3CCCO3)nn12
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| InChI |
InChI=1S/C20H19N7O/c21-20-25-18(13-5-2-1-3-6-13)17(14-8-9-22-23-12-14)19-24-16(26-27(19)20)11-15-7-4-10-28-15/h1-3,5-6,8-9,12,15H,4,7,10-11H2,(H2,21,25)
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| InChIKey |
WXYARKYAYUTGKX-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