General Information of the Compound
| Compound ID |
CP0472411
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| Compound Name |
N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]butanamide
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| Structure |
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| Formula |
C16H15N3O3
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| Molecular Weight |
297.314
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| Canonical SMILES |
CCCC(=O)Nc1cc(nc(n1)-c1ccoc1)-c1ccoc1
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| InChI |
InChI=1S/C16H15N3O3/c1-2-3-15(20)18-14-8-13(11-4-6-21-9-11)17-16(19-14)12-5-7-22-10-12/h4-10H,2-3H2,1H3,(H,17,18,19,20)
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| InChIKey |
DEZKWNXSFMAETO-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