General Information of the Compound
| Compound ID |
CP0475229
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| Compound Name |
5-[[(benzofuran-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 |
C20H14N8O3
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| Molecular Weight |
414.385
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| Canonical SMILES |
Cn1cc2c(n1)nc(NC(=O)Nc1cc3ccccc3o1)n1nc(nc21)-c1ccco1
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| InChI |
InChI=1S/C20H14N8O3/c1-27-10-12-16(25-27)23-19(28-18(12)22-17(26-28)14-7-4-8-30-14)24-20(29)21-15-9-11-5-2-3-6-13(11)31-15/h2-10H,1H3,(H2,21,23,24,25,29)
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| InChIKey |
VGGMXMHOGPXDTQ-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