General Information of the Compound
| Compound ID |
CP0425939
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| Compound Name |
[5-methylsulfonyl-2-(1,1,1-trifluoropropan-2-yloxy)phenyl]-[4-[3-methyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C22H23F6N3O4S
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| Molecular Weight |
539.498
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| Canonical SMILES |
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1C)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C22H23F6N3O4S/c1-13-10-15(22(26,27)28)12-29-19(13)30-6-8-31(9-7-30)20(32)17-11-16(36(3,33)34)4-5-18(17)35-14(2)21(23,24)25/h4-5,10-12,14H,6-9H2,1-3H3
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| InChIKey |
XCAKSQRXTDCBOR-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