General Information of the Compound
| Compound ID |
CP0432538
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| Compound Name |
2-(4-hydroxyphenyl)-6-phenyl-7H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
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| Structure |
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| Formula |
C17H12N4O3
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| Molecular Weight |
320.308
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| Canonical SMILES |
Oc1ccc(cc1)-n1nc2n(cc([nH]c2=O)-c2ccccc2)c1=O
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| InChI |
InChI=1S/C17H12N4O3/c22-13-8-6-12(7-9-13)21-17(24)20-10-14(11-4-2-1-3-5-11)18-16(23)15(20)19-21/h1-10,22H,(H,18,23)
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| InChIKey |
KXUTUXRBHLNIBK-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