General Information of the Compound
| Compound ID |
CP0431086
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| Compound Name |
[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-(4-nitrophenyl)methanone
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| Structure |
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| Formula |
C19H17N9O4
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| Molecular Weight |
435.404
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| Canonical SMILES |
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C19H17N9O4/c20-17-22-18(23-19-21-15(24-27(17)19)14-2-1-11-32-14)26-9-7-25(8-10-26)16(29)12-3-5-13(6-4-12)28(30)31/h1-6,11H,7-10H2,(H2,20,21,22,23,24)
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| InChIKey |
UBZZYIUJLAFYGC-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