General Information of the Compound
| Compound ID |
CP0964764
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| Compound Name |
4-(2-(7-amino-2-(4,5-dihydrofuran-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-ylamino)ethyl)phenol
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| Structure |
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| Formula |
C16H17N7O2
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| Molecular Weight |
339.359
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| Canonical SMILES |
Nc1nc(NCCc2ccc(O)cc2)nc2nc(C3=CCCO3)nn12
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| InChI |
InChI=1S/C16H17N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h2-6,24H,1,7-9H2,(H3,17,18,19,20,21,22)
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| InChIKey |
NFAAYDFVQROIHK-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