General Information of the Compound
| Compound ID |
CP0415414
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| Compound Name |
2-(furan-2-yl)-5-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C17H15N5O2S
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| Molecular Weight |
353.407
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| Canonical SMILES |
COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2ccco2)c1
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| InChI |
InChI=1S/C17H15N5O2S/c1-23-11-5-2-4-10(8-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-6-3-7-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
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| InChIKey |
MKZQUSYQWOCDQS-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