General Information of the Compound
| Compound ID |
CP0433180
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| Compound Name |
N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C19H22N6O2S
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| Molecular Weight |
398.492
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| Canonical SMILES |
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-c2nccs2)CC1
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| InChI |
InChI=1S/C19H22N6O2S/c1-13-3-4-15(27-13)18-21-14(19-20-5-10-28-19)11-16(23-18)22-17(26)12-25-8-6-24(2)7-9-25/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,22,23,26)
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| InChIKey |
RSXYRGSDOLORMR-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