General Information of the Compound
| Compound ID |
CP0484232
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| Compound Name |
4-chloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
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| Structure |
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| Formula |
C21H32ClN3O3S
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| Molecular Weight |
442.025
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| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(Cl)cc2)CCCCC1
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| InChI |
InChI=1S/C21H32ClN3O3S/c1-2-16-29(27,28)25-14-12-24(13-15-25)21(10-4-3-5-11-21)17-23-20(26)18-6-8-19(22)9-7-18/h6-9H,2-5,10-17H2,1H3,(H,23,26)
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| InChIKey |
MQHMTCNEJOYTMM-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: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2