General Information of the Compound
| Compound ID |
CP0394236
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| Compound Name |
N-[3-[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide
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| Structure |
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| Formula |
C24H31FN4O3S
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| Molecular Weight |
474.602
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)N1CCN(CC2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C24H31FN4O3S/c1-19(30)26-22-3-2-4-23(17-22)28-15-13-27(14-16-28)18-20-9-11-29(12-10-20)33(31,32)24-7-5-21(25)6-8-24/h2-8,17,20H,9-16,18H2,1H3,(H,26,30)
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| InChIKey |
MMOSXZZEPZECBR-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