General Information of the Compound
| Compound ID |
CP0856389
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| Compound Name |
2,2'-(2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diyl)bis(azanediyl)diethanaminium 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C16H19F6N9O5
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| Molecular Weight |
531.374
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| Canonical SMILES |
NCCNc1nc(NCCN)n2nc(-c3ccco3)nc2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C12H17N9O.2C2HF3O2/c13-3-5-15-10-18-11(16-6-4-14)21-12(19-10)17-9(20-21)8-2-1-7-22-8;2*3-2(4,5)1(6)7/h1-2,7H,3-6,13-14H2,(H2,15,16,17,18,19,20);2*(H,6,7)
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| InChIKey |
DAUUXJATIFFXFX-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