General Information of the Compound
| Compound ID |
CP0128234
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| Compound Name |
(3-methoxyphenyl)methyl 5-amino-2-phenyltriazole-4-carboxylate
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| Structure |
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| Formula |
C17H16N4O3
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| Molecular Weight |
324.34
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| Canonical SMILES |
COc1cccc(COC(=O)c2nn(nc2N)-c2ccccc2)c1
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| InChI |
InChI=1S/C17H16N4O3/c1-23-14-9-5-6-12(10-14)11-24-17(22)15-16(18)20-21(19-15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,18,20)
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| InChIKey |
PVXSYGKEPLNOTR-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: PT01279, Adenosine receptor A3