General Information of the Compound
| Compound ID |
CP0487319
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| Compound Name |
N-(2,6-dithiophen-2-ylpyrimidin-4-yl)propanamide
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| Structure |
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| Formula |
C15H13N3OS2
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| Molecular Weight |
315.423
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| Canonical SMILES |
CCC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1
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| InChI |
InChI=1S/C15H13N3OS2/c1-2-14(19)17-13-9-10(11-5-3-7-20-11)16-15(18-13)12-6-4-8-21-12/h3-9H,2H2,1H3,(H,16,17,18,19)
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| InChIKey |
HPHNCACRSQYJMW-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