General Information of the Compound
| Compound ID |
CP0558435
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| Compound Name |
5-N-[(3-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C14H15N5OS
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| Molecular Weight |
301.375
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| Canonical SMILES |
COc1cccc(CNc2nc(N)c3nc(C)sc3n2)c1
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| InChI |
InChI=1S/C14H15N5OS/c1-8-17-11-12(15)18-14(19-13(11)21-8)16-7-9-4-3-5-10(6-9)20-2/h3-6H,7H2,1-2H3,(H3,15,16,18,19)
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| InChIKey |
IFUSHKGAHYCHIQ-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