General Information of the Compound
| Compound ID |
CP0864899
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| Compound Name |
(R/S)-N-{2-[(1-Phenylethyl)sulfanyl]-6-propoxypyrimidin-4-yl}acetamide
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| Structure |
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| Formula |
C17H21N3O2S
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| Molecular Weight |
331.441
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| Canonical SMILES |
CCCOc1cc(NC(C)=O)nc(SC(C)c2ccccc2)n1
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| InChI |
InChI=1S/C17H21N3O2S/c1-4-10-22-16-11-15(18-13(3)21)19-17(20-16)23-12(2)14-8-6-5-7-9-14/h5-9,11-12H,4,10H2,1-3H3,(H,18,19,20,21)
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| InChIKey |
LBBZLRSTZZXWIO-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