General Information of the Compound
| Compound ID |
CP0504367
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| Compound Name |
[5-methylsulfonyl-2-(1,1,1-trifluoropropan-2-yloxy)phenyl]-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C20H20F6N4O4S
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| Molecular Weight |
526.459
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| Canonical SMILES |
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1cnc(cn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C20H20F6N4O4S/c1-12(19(21,22)23)34-15-4-3-13(35(2,32)33)9-14(15)18(31)30-7-5-29(6-8-30)17-11-27-16(10-28-17)20(24,25)26/h3-4,9-12H,5-8H2,1-2H3
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| InChIKey |
YDAABCXERXOGDC-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2