General Information of the Compound
| Compound ID |
CP0446803
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| Compound Name |
2-methyl-5-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C12H13N5S2
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| Molecular Weight |
291.405
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| Canonical SMILES |
Cc1nc2c(N)nc(NCCc3cccs3)nc2s1
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| InChI |
InChI=1S/C12H13N5S2/c1-7-15-9-10(13)16-12(17-11(9)19-7)14-5-4-8-3-2-6-18-8/h2-3,6H,4-5H2,1H3,(H3,13,14,16,17)
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| InChIKey |
MCEXUYHFWKYLLR-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