General Information of the Compound
| Compound ID |
CP0849566
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| Compound Name |
6-(azepan-1-ylmethyl)-2-(furan-2-yl)thieno[2,3-d]-pyrimidin-4-amine
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| Structure |
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| Formula |
C17H20N4OS
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| Molecular Weight |
328.441
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| Canonical SMILES |
Nc1nc(-c2ccco2)nc2sc(CN3CCCCCC3)cc12
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| InChI |
InChI=1S/C17H20N4OS/c18-15-13-10-12(11-21-7-3-1-2-4-8-21)23-17(13)20-16(19-15)14-6-5-9-22-14/h5-6,9-10H,1-4,7-8,11H2,(H2,18,19,20)
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| InChIKey |
SSJXHQWCBBLDCI-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