General Information of the Compound
| Compound ID |
CP0545567
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| Compound Name |
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[4-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpiperazin-1-yl]propanamide
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| Structure |
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| Formula |
C20H28ClF3N4O4S
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| Molecular Weight |
512.982
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| Canonical SMILES |
COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(CC1)S(=O)(=O)N1CCC(CC1)C(F)(F)F
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| InChI |
InChI=1S/C20H28ClF3N4O4S/c1-14(19(29)25-17-13-16(21)3-4-18(17)32-2)26-9-11-28(12-10-26)33(30,31)27-7-5-15(6-8-27)20(22,23)24/h3-4,13-15H,5-12H2,1-2H3,(H,25,29)/t14-/m0/s1
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| InChIKey |
RVKJSFXEARCUFG-AWEZNQCLSA-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: PT06983, Potassium channel subfamily T member 1
Protein ID: PT07549, Potassium channel subfamily T member 2