General Information of the Compound
| Compound ID |
CP0433199
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| Compound Name |
2-(4-methylpiperazin-1-yl)-N-[6-(pyridin-2-yl)-2-(thiophen-2-yl)pyrimidin-4-yl]acetamide
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| Structure |
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| Formula |
C20H22N6OS
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| Molecular Weight |
394.504
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| Canonical SMILES |
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2cccs2)-c2ccccn2)CC1
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| InChI |
InChI=1S/C20H22N6OS/c1-25-8-10-26(11-9-25)14-19(27)23-18-13-16(15-5-2-3-7-21-15)22-20(24-18)17-6-4-12-28-17/h2-7,12-13H,8-11,14H2,1H3,(H,22,23,24,27)
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| InChIKey |
QFYGWYSCRHAECE-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