General Information of the Compound
| Compound ID |
CP0514061
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| Compound Name |
4-fluoro-2-methoxy-6-methylsulfanyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
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| Structure |
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| Formula |
C23H36FN3O4S2
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| Molecular Weight |
501.69
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| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(OC)cc(F)cc2SC)CCCCC1
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| InChI |
InChI=1S/C23H36FN3O4S2/c1-4-14-33(29,30)27-12-10-26(11-13-27)23(8-6-5-7-9-23)17-25-22(28)21-19(31-2)15-18(24)16-20(21)32-3/h15-16H,4-14,17H2,1-3H3,(H,25,28)
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| InChIKey |
SHMQHQQTMWPILC-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