General Information of the Compound
| Compound ID |
CP0888447
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| Compound Name |
rac-N-[3-(3,4-Dimethylphenyl)propyl]-2-[3-fluoro-4-(methylsulfonylamino)phenyl]propionamide
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| Structure |
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| Formula |
C21H27FN2O3S
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| Molecular Weight |
406.523
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| Canonical SMILES |
Cc1ccc(CCCNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1C
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| InChI |
InChI=1S/C21H27FN2O3S/c1-14-7-8-17(12-15(14)2)6-5-11-23-21(25)16(3)18-9-10-20(19(22)13-18)24-28(4,26)27/h7-10,12-13,16,24H,5-6,11H2,1-4H3,(H,23,25)
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| InChIKey |
JYJFYPANGZFUDB-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