General Information of the Compound
| Compound ID |
CP0427799
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| Compound Name |
2-(furan-2-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
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| Structure |
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| Formula |
C12H13N7O
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| Molecular Weight |
271.284
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| Canonical SMILES |
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCCC1
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| InChI |
InChI=1S/C12H13N7O/c13-10-15-11(18-5-1-2-6-18)16-12-14-9(17-19(10)12)8-4-3-7-20-8/h3-4,7H,1-2,5-6H2,(H2,13,14,15,16,17)
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| InChIKey |
BNQUWJCMFCDGRZ-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