General Information of the Compound
| Compound ID |
CP0959715
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| Compound Name |
N-(5-cyano-2-(4-(3-fluorobenzyl)piperidin-1-yl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C25H24FN5O2
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| Molecular Weight |
445.498
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(C#N)ccc1N1CCN(Cc2cccc(F)c2)CC1
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| InChI |
InChI=1S/C25H24FN5O2/c1-33-25-21(6-3-9-28-25)24(32)29-22-15-18(16-27)7-8-23(22)31-12-10-30(11-13-31)17-19-4-2-5-20(26)14-19/h2-9,14-15H,10-13,17H2,1H3,(H,29,32)
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| InChIKey |
SJFZSDOYKSCSRD-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