General Information of the Compound
| Compound ID |
CP0506076
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| Compound Name |
(2R)-1-(2-Chloro-4-ethoxyphenylsulfonyl)-4-(4-fluoro-2-(trifluoromethyl)phenyl)-2-methylpiperazine
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| Structure |
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| Formula |
C20H21ClF4N2O3S
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| Molecular Weight |
480.911
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| Canonical SMILES |
CCOc1ccc(c(Cl)c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C20H21ClF4N2O3S/c1-3-30-15-5-7-19(17(21)11-15)31(28,29)27-9-8-26(12-13(27)2)18-6-4-14(22)10-16(18)20(23,24)25/h4-7,10-11,13H,3,8-9,12H2,1-2H3/t13-/m1/s1
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| InChIKey |
PBUJJYXSAFWNJJ-CYBMUJFWSA-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: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1