General Information of the Compound
| Compound ID |
CP0392824
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| Compound Name |
methyl 4-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-4-oxobutanoate
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| Structure |
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| Formula |
C17H20N8O4
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| Molecular Weight |
400.399
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| Canonical SMILES |
COC(=O)CCC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
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| InChI |
InChI=1S/C17H20N8O4/c1-28-13(27)5-4-12(26)23-6-8-24(9-7-23)16-20-15(18)25-17(21-16)19-14(22-25)11-3-2-10-29-11/h2-3,10H,4-9H2,1H3,(H2,18,19,20,21,22)
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| InChIKey |
NQDDUYJVXZFFQT-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: PT01278, Adenosine receptor A2b