General Information of the Compound
| Compound ID |
CP0379456
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| Compound Name |
N-(2,6-dithiophen-2-ylpyrimidin-4-yl)butanamide
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| Structure |
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| Formula |
C16H15N3OS2
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| Molecular Weight |
329.45
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| Canonical SMILES |
CCCC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1
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| InChI |
InChI=1S/C16H15N3OS2/c1-2-5-15(20)18-14-10-11(12-6-3-8-21-12)17-16(19-14)13-7-4-9-22-13/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20)
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| InChIKey |
AYGCCWAQUFAHBW-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