General Information of the Compound
| Compound ID |
CP0438721
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| Compound Name |
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-[5-methylsulfonyl-2-(1,1,1-trifluoropropan-2-yloxy)phenyl]methanone
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| Structure |
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| Formula |
C22H25F3N2O6S2
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| Molecular Weight |
534.578
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| Canonical SMILES |
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)S(C)(=O)=O)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C22H25F3N2O6S2/c1-15(22(23,24)25)33-20-9-8-18(35(3,31)32)14-19(20)21(28)27-12-10-26(11-13-27)16-4-6-17(7-5-16)34(2,29)30/h4-9,14-15H,10-13H2,1-3H3
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| InChIKey |
YVCIMJTXGXXSJG-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