General Information of the Compound
| Compound ID |
CP0385367
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| Compound Name |
5-N,7-N-dibenzyl-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 |
C22H19N7O
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| Molecular Weight |
397.442
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| Canonical SMILES |
C(Nc1nc(NCc2ccccc2)n2nc(nc2n1)-c1ccco1)c1ccccc1
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| InChI |
InChI=1S/C22H19N7O/c1-3-8-16(9-4-1)14-23-20-26-21(24-15-17-10-5-2-6-11-17)29-22(27-20)25-19(28-29)18-12-7-13-30-18/h1-13H,14-15H2,(H2,23,24,25,26,27,28)
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| InChIKey |
VWEYZPFNBQUCID-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