General Information of the Compound
| Compound ID |
CP0400897
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| Compound Name |
5-N-cyclohexyl-7-N-[(4-fluorophenyl)methyl]-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 |
C21H22FN7O
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| Molecular Weight |
407.453
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| Canonical SMILES |
Fc1ccc(CNc2nc(NC3CCCCC3)nc3nc(nn23)-c2ccco2)cc1
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| InChI |
InChI=1S/C21H22FN7O/c22-15-10-8-14(9-11-15)13-23-20-26-19(24-16-5-2-1-3-6-16)27-21-25-18(28-29(20)21)17-7-4-12-30-17/h4,7-12,16H,1-3,5-6,13H2,(H2,23,24,25,26,27,28)
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| InChIKey |
MFDDHVJCVCVPIP-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