General Information of the Compound
| Compound ID |
CP0911031
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| Compound Name |
6-(8-fluoro-2-naphthyl)-3-[2-methyl-1-(4H-1,2,4-triazol-3-ylmethyl)propyl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C22H21FN4O
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| Molecular Weight |
376.435
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| Canonical SMILES |
CC(C)C(Cc1nnc[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
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| InChI |
InChI=1S/C22H21FN4O/c1-13(2)17(11-21-24-12-25-27-21)16-8-9-20(26-22(16)28)15-7-6-14-4-3-5-19(23)18(14)10-15/h3-10,12-13,17H,11H2,1-2H3,(H,26,28)(H,24,25,27)
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| InChIKey |
OMTDUQXTCRGYHF-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