General Information of the Compound
| Compound ID |
CP0411545
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| Compound Name |
5-N-[(2-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C18H17N5O2S
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| Molecular Weight |
367.434
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| Canonical SMILES |
COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1ccc(C)o1
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| InChI |
InChI=1S/C18H17N5O2S/c1-10-7-8-13(25-10)16-21-14-15(19)22-18(23-17(14)26-16)20-9-11-5-3-4-6-12(11)24-2/h3-8H,9H2,1-2H3,(H3,19,20,22,23)
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| InChIKey |
IAFSTXHYDXRWLE-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