General Information of the Compound
| Compound ID |
CP0217528
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| Compound Name |
N-[[4,4-difluoro-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2,6-difluorobenzamide
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| Structure |
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| Formula |
C21H29F4N3O3S
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| Molecular Weight |
479.54
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| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(F)cccc2F)CCC(F)(F)CC1
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| InChI |
InChI=1S/C21H29F4N3O3S/c1-2-14-32(30,31)28-12-10-27(11-13-28)20(6-8-21(24,25)9-7-20)15-26-19(29)18-16(22)4-3-5-17(18)23/h3-5H,2,6-15H2,1H3,(H,26,29)
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| InChIKey |
FGMUHFCARDYHEJ-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1