General Information of the Compound
| Compound ID |
CP0436905
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| Compound Name |
8-amino-6-[4-(2-aminoethoxy)phenyl]-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
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| Structure |
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| Formula |
C19H18N6O2
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| Molecular Weight |
362.393
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| Canonical SMILES |
NCCOc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
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| InChI |
InChI=1S/C19H18N6O2/c20-10-11-27-15-8-6-13(7-9-15)16-12-24-18(17(21)22-16)23-25(19(24)26)14-4-2-1-3-5-14/h1-9,12H,10-11,20H2,(H2,21,22)
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| InChIKey |
JCSACTFCEWJZAC-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