General Information of the Compound
| Compound ID |
CP0510734
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| Compound Name |
5-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C19H19N5O3S
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| Molecular Weight |
397.46
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| Canonical SMILES |
COc1ccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1OC
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| InChI |
InChI=1S/C19H19N5O3S/c1-25-12-6-5-11(10-14(12)26-2)7-8-21-19-23-16(20)15-18(24-19)28-17(22-15)13-4-3-9-27-13/h3-6,9-10H,7-8H2,1-2H3,(H3,20,21,23,24)
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| InChIKey |
MRNAGDNRGKXOJA-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