General Information of the Compound
| Compound ID |
CP0460393
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| Compound Name |
2-methoxy-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-4,6-bis(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C24H33F6N3O4S
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| Molecular Weight |
573.6
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| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(OC)cc(cc2C(F)(F)F)C(F)(F)F)CCCCC1
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| InChI |
InChI=1S/C24H33F6N3O4S/c1-3-13-38(35,36)33-11-9-32(10-12-33)22(7-5-4-6-8-22)16-31-21(34)20-18(24(28,29)30)14-17(23(25,26)27)15-19(20)37-2/h14-15H,3-13,16H2,1-2H3,(H,31,34)
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| InChIKey |
DDZGMGTXMYWFBR-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