General Information of the Compound
| Compound ID |
CP0382461
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| Compound Name |
5-[[(5-methyl-thiophen-2-yl)amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine
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| Structure |
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| Formula |
C17H14N8O2S
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| Molecular Weight |
394.42
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| Canonical SMILES |
Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)s1
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| InChI |
InChI=1S/C17H14N8O2S/c1-9-5-6-12(28-9)18-17(26)21-16-20-13-10(8-24(2)22-13)15-19-14(23-25(15)16)11-4-3-7-27-11/h3-8H,1-2H3,(H2,18,20,21,22,26)
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| InChIKey |
LIROCFJXDCZTBH-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