General Information of the Compound
| Compound ID |
CP0456686
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| Compound Name |
5-N-benzyl-2-methyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C13H13N5S
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| Molecular Weight |
271.349
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| Canonical SMILES |
Cc1nc2c(N)nc(NCc3ccccc3)nc2s1
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| InChI |
InChI=1S/C13H13N5S/c1-8-16-10-11(14)17-13(18-12(10)19-8)15-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H3,14,15,17,18)
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| InChIKey |
LCFLUTLCEWLMIC-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: PT01279, Adenosine receptor A3