General Information of the Compound
| Compound ID |
CP0385863
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| Compound Name |
1-[2-(furan-2-yl)-5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-3-phenylurea
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| Structure |
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| Formula |
C18H18N8O2
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| Molecular Weight |
378.396
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| Canonical SMILES |
CC(C)Nc1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1
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| InChI |
InChI=1S/C18H18N8O2/c1-11(2)19-15-22-16-21-14(13-9-6-10-28-13)25-26(16)17(23-15)24-18(27)20-12-7-4-3-5-8-12/h3-11H,1-2H3,(H3,19,20,21,22,23,24,25,27)
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| InChIKey |
UDOOWYNSRLPYAH-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