General Information of the Compound
| Compound ID |
CP0968974
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-2-ethoxynicotinamide
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| Structure |
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| Formula |
C26H24F2N4O3
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| Molecular Weight |
478.499
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| Canonical SMILES |
CCOc1ncccc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C26H24F2N4O3/c1-2-34-26-20(4-3-11-30-26)25(33)31-22-14-17(16-29)5-7-23(22)32-12-9-19(10-13-32)35-24-8-6-18(27)15-21(24)28/h3-8,11,14-15,19H,2,9-10,12-13H2,1H3,(H,31,33)
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| InChIKey |
WZTZSOJUNUWQFK-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