General Information of the Compound
| Compound ID |
CP0545575
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| Compound Name |
N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide
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| Structure |
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| Formula |
C18H27FN4O3S
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| Molecular Weight |
398.504
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| Canonical SMILES |
CC1CCN(CC1)S(=O)(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1
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| InChI |
InChI=1S/C18H27FN4O3S/c1-15-5-7-22(8-6-15)27(25,26)23-11-9-21(10-12-23)14-18(24)20-17-4-2-3-16(19)13-17/h2-4,13,15H,5-12,14H2,1H3,(H,20,24)
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| InChIKey |
KADCMHIWKRVQBD-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