General Information of the Compound
| Compound ID |
CP0946683
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| Compound Name |
6-((2,5-dihydro-1H-pyrrol-1-yl)methyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C15H14N4OS
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| Molecular Weight |
298.371
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| Canonical SMILES |
Nc1nc(-c2ccco2)nc2sc(CN3CC=CC3)cc12
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| InChI |
InChI=1S/C15H14N4OS/c16-13-11-8-10(9-19-5-1-2-6-19)21-15(11)18-14(17-13)12-4-3-7-20-12/h1-4,7-8H,5-6,9H2,(H2,16,17,18)
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| InChIKey |
QQIOCFQBLXDVEC-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