General Information of the Compound
| Compound ID |
CP0403420
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| Compound Name |
2,5-diethyl-8-methyl-4,7-dihydro-1H-benzo[1,2-d:3,4-d':5,6-d'']-triimidazole
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| Structure |
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| Formula |
C14H16N6
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| Molecular Weight |
268.324
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| Canonical SMILES |
CCc1nc2c3nc(C)[nH]c3c3nc(CC)[nH]c3c2[nH]1
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| InChI |
InChI=1S/C14H16N6/c1-4-7-17-11-9-10(16-6(3)15-9)12-14(13(11)19-7)20-8(5-2)18-12/h4-5H2,1-3H3,(H,15,16)(H,17,19)(H,18,20)
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| InChIKey |
XYNWEBRTRYLKMU-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: PT01279, Adenosine receptor A3