General Information of the Compound
| Compound ID |
CP0446613
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| Compound Name |
2-(furan-2-yl)-5-N-(3-phenylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C18H17N5OS
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| Molecular Weight |
351.435
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| Canonical SMILES |
Nc1nc(NCCCc2ccccc2)nc2sc(nc12)-c1ccco1
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| InChI |
InChI=1S/C18H17N5OS/c19-15-14-17(25-16(21-14)13-9-5-11-24-13)23-18(22-15)20-10-4-8-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H3,19,20,22,23)
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| InChIKey |
MSBBAXWACYQBNB-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