General Information of the Compound
| Compound ID |
CP0946682
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| Compound Name |
6-diethylaminomethyl-2-furan-2-yl-thieno[2,3-d]-pyrimidin-4-ylamine
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| Structure |
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| Formula |
C15H18N4OS
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| Molecular Weight |
302.403
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| Canonical SMILES |
CCN(CC)Cc1cc2c(N)nc(-c3ccco3)nc2s1
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| InChI |
InChI=1S/C15H18N4OS/c1-3-19(4-2)9-10-8-11-13(16)17-14(18-15(11)21-10)12-6-5-7-20-12/h5-8H,3-4,9H2,1-2H3,(H2,16,17,18)
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| InChIKey |
RCZCVIITBKZQEU-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