General Information of the Compound
| Compound ID |
CP0473543
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| Compound Name |
7-chloro-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C14H13ClN4O3S
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| Molecular Weight |
352.803
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| Canonical SMILES |
COc1cc(Nc2nc3c(Cl)ncnc3s2)cc(OC)c1OC
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| InChI |
InChI=1S/C14H13ClN4O3S/c1-20-8-4-7(5-9(21-2)11(8)22-3)18-14-19-10-12(15)16-6-17-13(10)23-14/h4-6H,1-3H3,(H,18,19)
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| InChIKey |
NIQZYMYTVFSKRC-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