General Information of the Compound
| Compound ID |
CP0433633
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| Compound Name |
1-(2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl)-3-p-tolylurea
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| Structure |
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| Formula |
C17H15N7O2S
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| Molecular Weight |
381.421
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| Canonical SMILES |
CSc1nc(NC(=O)Nc2ccc(C)cc2)n2nc(nc2n1)-c1ccco1
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| InChI |
InChI=1S/C17H15N7O2S/c1-10-5-7-11(8-6-10)18-16(25)20-15-22-17(27-2)21-14-19-13(23-24(14)15)12-4-3-9-26-12/h3-9H,1-2H3,(H2,18,19,20,21,22,23,25)
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| InChIKey |
LTFBMYBJINEUDT-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3