General Information of the Compound
| Compound ID |
CP0428565
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| Compound Name |
(E)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C21H22ClF3N2O
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| Molecular Weight |
410.867
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| Canonical SMILES |
CN(C)CCC(NC(=O)\C=C\c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H22ClF3N2O/c1-27(2)14-13-19(16-6-10-18(22)11-7-16)26-20(28)12-5-15-3-8-17(9-4-15)21(23,24)25/h3-12,19H,13-14H2,1-2H3,(H,26,28)/b12-5+
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| InChIKey |
OACORGJUEPUCKC-LFYBBSHMSA-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