General Information of the Compound
| Compound ID |
CP0944878
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| Compound Name |
N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)thiazol-2-yl]-5-tritio-pyridine-3-carboxamide
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| Structure |
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| Formula |
C22H18N4OS
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| Molecular Weight |
388.4880493
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| Canonical SMILES |
[3H]c1cncc(C(=O)Nc2nc(-c3cc(C)cc(C)c3)c(-c3ccncc3)s2)c1
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| InChI |
InChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27)/i3T
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| InChIKey |
YDXZLBYHXZOWOC-WJULDGBESA-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: PT01279, Adenosine receptor A3
Protein ID: PT01827, Adenosine receptor A3
Protein ID: PT05025, Adenosine receptor A3