General Information of the Compound
| Compound ID |
CP0415546
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| Compound Name |
N-(4-nitrophenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C15H14N6O2S
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| Molecular Weight |
342.384
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| Canonical SMILES |
[O-][N+](=O)c1ccc(Nc2nc3c(ncnc3s2)N2CCCC2)cc1
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| InChI |
InChI=1S/C15H14N6O2S/c22-21(23)11-5-3-10(4-6-11)18-15-19-12-13(20-7-1-2-8-20)16-9-17-14(12)24-15/h3-6,9H,1-2,7-8H2,(H,18,19)
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| InChIKey |
BGOMRRIRVJFVFH-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