General Information of the Compound
| Compound ID |
CP0558942
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| Compound Name |
6-(8-fluoronaphthalen-2-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one
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| Formula |
C22H21FN4O
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| Molecular Weight |
376.435
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| Canonical SMILES |
CCC(CC)(c1nnc[nH]1)c1ccc([nH]c1=O)-c1ccc2cccc(F)c2c1
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| InChI |
InChI=1S/C22H21FN4O/c1-3-22(4-2,21-24-13-25-27-21)17-10-11-19(26-20(17)28)15-9-8-14-6-5-7-18(23)16(14)12-15/h5-13H,3-4H2,1-2H3,(H,26,28)(H,24,25,27)
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| InChIKey |
LLAGBOYGCWFAEA-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