General Information of the Compound
| Compound ID |
CP0864793
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| Compound Name |
6-cyclohexylaminomethyl-2-furan-2-yl-thieno-[2,3-d]pyrimidin-4-ylamine
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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(CNC3CCCCC3)cc12
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| InChI |
InChI=1S/C17H20N4OS/c18-15-13-9-12(10-19-11-5-2-1-3-6-11)23-17(13)21-16(20-15)14-7-4-8-22-14/h4,7-9,11,19H,1-3,5-6,10H2,(H2,18,20,21)
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| InChIKey |
IEJJEPFSVOJDJL-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