General Information of the Compound
| Compound ID |
CP0498105
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| Compound Name |
1-(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea
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| Structure |
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| Formula |
C20H18N8O3S
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| Molecular Weight |
450.484
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1
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| InChI |
InChI=1S/C20H18N8O3S/c1-27-18(32-3)14-16(25-27)23-19(24-20(29)21-11-6-8-12(30-2)9-7-11)28-17(14)22-15(26-28)13-5-4-10-31-13/h4-10H,1-3H3,(H2,21,23,24,25,29)
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| InChIKey |
GJFVCSIWUJNFMJ-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