General Information of the Compound
| Compound ID |
CP0514831
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| Compound Name |
6-(6,8-difluoronaphthalen-2-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C22H20F2N4O
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| Molecular Weight |
394.425
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| Canonical SMILES |
CCC(CC)(c1nnc[nH]1)c1ccc([nH]c1=O)-c1ccc2cc(F)cc(F)c2c1
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| InChI |
InChI=1S/C22H20F2N4O/c1-3-22(4-2,21-25-12-26-28-21)17-7-8-19(27-20(17)29)14-6-5-13-9-15(23)11-18(24)16(13)10-14/h5-12H,3-4H2,1-2H3,(H,27,29)(H,25,26,28)
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| InChIKey |
KIDOIHYOBDTHRH-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