General Information of the Compound
| Compound ID |
CP0484230
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| Compound Name |
2,6-difluoro-N-[[4-(4-propylsulfonylpiperazin-1-yl)oxepan-4-yl]methyl]benzamide
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| Structure |
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| Formula |
C21H31F2N3O4S
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| Molecular Weight |
459.559
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| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(F)cccc2F)CCCOCC1
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| InChI |
InChI=1S/C21H31F2N3O4S/c1-2-15-31(28,29)26-11-9-25(10-12-26)21(7-4-13-30-14-8-21)16-24-20(27)19-17(22)5-3-6-18(19)23/h3,5-6H,2,4,7-16H2,1H3,(H,24,27)
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| InChIKey |
SEVUAKYZVSUWFB-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