General Information of the Compound
| Compound ID |
CP0450753
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| Compound Name |
8-amino-2-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
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| Structure |
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| Formula |
C20H19N5O4
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| Molecular Weight |
393.403
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
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| InChI |
InChI=1S/C20H19N5O4/c1-27-15-9-12(10-16(28-2)17(15)29-3)14-11-24-19(18(21)22-14)23-25(20(24)26)13-7-5-4-6-8-13/h4-11H,1-3H3,(H2,21,22)
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| InChIKey |
ZVNUQVQHRWHRQA-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