General Information of the Compound
| Compound ID |
CP0853657
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| Compound Name |
6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-furan-2-yl-thieno[2,3-d]pyrimidin-4-ylamine
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| Structure |
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| Formula |
C16H16N4OS
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| Molecular Weight |
312.398
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| Canonical SMILES |
Nc1nc(-c2ccco2)nc2sc(CN3CC=CCC3)cc12
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| InChI |
InChI=1S/C16H16N4OS/c17-14-12-9-11(10-20-6-2-1-3-7-20)22-16(12)19-15(18-14)13-5-4-8-21-13/h1-2,4-5,8-9H,3,6-7,10H2,(H2,17,18,19)
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| InChIKey |
DHPWIFQARXXGQJ-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