General Information of the Compound
| Compound ID |
CP0499311
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| Compound Name |
6-benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C17H17N3OS
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| Molecular Weight |
311.41
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| Canonical SMILES |
Nc1nc(nc2sc(Cc3ccccc3)cc12)C1CCCO1
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| InChI |
InChI=1S/C17H17N3OS/c18-15-13-10-12(9-11-5-2-1-3-6-11)22-17(13)20-16(19-15)14-7-4-8-21-14/h1-3,5-6,10,14H,4,7-9H2,(H2,18,19,20)
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| InChIKey |
MFDGKTWFFVHPFX-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