General Information of the Compound
| Compound ID |
CP0479664
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| Compound Name |
8-amino-6-[4-(cyclobutylmethoxy)phenyl]-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
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| Structure |
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| Formula |
C22H21N5O2
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| Molecular Weight |
387.443
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| Canonical SMILES |
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCC2CCC2)cc1
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| InChI |
InChI=1S/C22H21N5O2/c23-20-21-25-27(17-7-2-1-3-8-17)22(28)26(21)13-19(24-20)16-9-11-18(12-10-16)29-14-15-5-4-6-15/h1-3,7-13,15H,4-6,14H2,(H2,23,24)
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| InChIKey |
CLOFKOKZAFUMGN-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3