General Information of the Compound
| Compound ID |
CP0498946
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| Compound Name |
(2R)-4-(4-Fluoro-2-(trifluoromethyl)phenyl)-1-(4-methoxyphenylsulfonyl)-2-methylpiperazine
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| Structure |
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| Formula |
C19H20F4N2O3S
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| Molecular Weight |
432.439
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C19H20F4N2O3S/c1-13-12-24(18-8-3-14(20)11-17(18)19(21,22)23)9-10-25(13)29(26,27)16-6-4-15(28-2)5-7-16/h3-8,11,13H,9-10,12H2,1-2H3/t13-/m1/s1
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| InChIKey |
GHODSCFSXCJELN-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