General Information of the Compound
| Compound ID |
CP0398968
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| Compound Name |
(2E)-N-{1-[(6-fluoro-2-naphthyl)methyl]piperidin-4-yl}-3-phenylacrylamide
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| Structure |
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| Formula |
C25H25FN2O
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| Molecular Weight |
388.486
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| Canonical SMILES |
Fc1ccc2cc(CN3CCC(CC3)NC(=O)\C=C\c3ccccc3)ccc2c1
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| InChI |
InChI=1S/C25H25FN2O/c26-23-10-9-21-16-20(6-8-22(21)17-23)18-28-14-12-24(13-15-28)27-25(29)11-7-19-4-2-1-3-5-19/h1-11,16-17,24H,12-15,18H2,(H,27,29)/b11-7+
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| InChIKey |
CBQSNFCXAYXVQO-YRNVUSSQSA-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