General Information of the Compound
| Compound ID |
CP0517721
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| Compound Name |
[3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol
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| Structure |
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| Formula |
C16H12N4O2S
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| Molecular Weight |
324.365
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| Canonical SMILES |
Nc1nc(nc2sc(nc12)-c1ccco1)-c1cccc(CO)c1
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| InChI |
InChI=1S/C16H12N4O2S/c17-13-12-16(23-15(18-12)11-5-2-6-22-11)20-14(19-13)10-4-1-3-9(7-10)8-21/h1-7,21H,8H2,(H2,17,19,20)
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| InChIKey |
PXBABKDQVWUESV-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