General Information of the Compound
| Compound ID |
CP0378853
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| Compound Name |
N-[4,6-bis(2-fluorophenyl)pyrimidin-2-yl]butanamide
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| Structure |
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| Formula |
C20H17F2N3O
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| Molecular Weight |
353.372
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| Canonical SMILES |
CCCC(=O)Nc1nc(cc(n1)-c1ccccc1F)-c1ccccc1F
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| InChI |
InChI=1S/C20H17F2N3O/c1-2-7-19(26)25-20-23-17(13-8-3-5-10-15(13)21)12-18(24-20)14-9-4-6-11-16(14)22/h3-6,8-12H,2,7H2,1H3,(H,23,24,25,26)
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| InChIKey |
MWYONDNCIIPSFP-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