General Information of the Compound
| Compound ID |
CP0425843
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| Compound Name |
2-Furan-2-yl-9-methylsulfanyl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
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| Structure |
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| Formula |
C20H19N7OS
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| Molecular Weight |
405.487
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| Canonical SMILES |
CSc1n(CCCc2ccccc2)nc2nc(N)n3nc(nc3c12)-c1ccco1
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| InChI |
InChI=1S/C20H19N7OS/c1-29-19-15-17(24-26(19)11-5-9-13-7-3-2-4-8-13)23-20(21)27-18(15)22-16(25-27)14-10-6-12-28-14/h2-4,6-8,10,12H,5,9,11H2,1H3,(H2,21,23,24)
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| InChIKey |
UKNAWBIMMPPIBW-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