General Information of the Compound
| Compound ID |
CP0526594
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| Compound Name |
3-(4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl)-N-methyl-4-morpholinobenzenesulfonamide
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| Structure |
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| Formula |
C24H29FN4O5S
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| Molecular Weight |
504.584
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O
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| InChI |
InChI=1S/C24H29FN4O5S/c1-17(30)18-3-5-23(21(25)15-18)27-7-9-29(10-8-27)24(31)20-16-19(35(32,33)26-2)4-6-22(20)28-11-13-34-14-12-28/h3-6,15-16,26H,7-14H2,1-2H3
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| InChIKey |
WIGSBOSBGAGALY-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