General Information of the Compound
| Compound ID |
CP0496549
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| Compound Name |
(E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C25H25F3N2O
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| Molecular Weight |
426.482
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| Canonical SMILES |
CN(C)CCC(NC(=O)\C=C\c1ccc(cc1)C(F)(F)F)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C25H25F3N2O/c1-30(2)16-15-23(21-11-10-19-5-3-4-6-20(19)17-21)29-24(31)14-9-18-7-12-22(13-8-18)25(26,27)28/h3-14,17,23H,15-16H2,1-2H3,(H,29,31)/b14-9+
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| InChIKey |
ZNHDEMOCOCFLIC-NTEUORMPSA-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