General Information of the Compound
| Compound ID |
CP0495416
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| Compound Name |
(E)-3-(4-tert-butylphenyl)-N-[1-[3-fluoro-4-(methanesulfonamido)phenyl]ethyl]prop-2-enamide
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| Structure |
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| Formula |
C22H27FN2O3S
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| Molecular Weight |
418.534
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| Canonical SMILES |
CC(NC(=O)\C=C\c1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C22H27FN2O3S/c1-15(17-9-12-20(19(23)14-17)25-29(5,27)28)24-21(26)13-8-16-6-10-18(11-7-16)22(2,3)4/h6-15,25H,1-5H3,(H,24,26)/b13-8+
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| InChIKey |
MGIAWEQCVGZBOI-MDWZMJQESA-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