General Information of the Compound
| Compound ID |
CP0468152
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| Compound Name |
5-N-benzyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
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| Structure |
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| Formula |
C15H13N7O
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| Molecular Weight |
307.317
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| Canonical SMILES |
Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C15H13N7O/c16-13-19-14(17-9-10-5-2-1-3-6-10)20-15-18-12(21-22(13)15)11-7-4-8-23-11/h1-8H,9H2,(H3,16,17,18,19,20,21)
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| InChIKey |
BCJLRYNWJFOABF-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
Protein ID: PT01279, Adenosine receptor A3