General Information of the Compound
| Compound ID |
CP0856396
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| Compound Name |
1-(4-amino-2-furan-2-yl-thieno[2,3-d]pyrimidin-6-ylmethyl)-piperidin-4-ol
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| Structure |
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| Formula |
C16H18N4O2S
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| Molecular Weight |
330.413
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| Canonical SMILES |
Nc1nc(-c2ccco2)nc2sc(CN3CCC(O)CC3)cc12
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| InChI |
InChI=1S/C16H18N4O2S/c17-14-12-8-11(9-20-5-3-10(21)4-6-20)23-16(12)19-15(18-14)13-2-1-7-22-13/h1-2,7-8,10,21H,3-6,9H2,(H2,17,18,19)
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| InChIKey |
KHGJAKBDYWCOCC-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