General Information of the Compound
| Compound ID |
CP0452461
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| Compound Name |
(2R)-1-(2-Chloro-4-(2-methoxyethoxy)phenylsulfonyl)-4-(4-fluoro-2-(trifluoromethyl)phenyl)-2-methylpiperazine
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| Structure |
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| Formula |
C21H23ClF4N2O4S
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| Molecular Weight |
510.937
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| Canonical SMILES |
COCCOc1ccc(c(Cl)c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C21H23ClF4N2O4S/c1-14-13-27(19-5-3-15(23)11-17(19)21(24,25)26)7-8-28(14)33(29,30)20-6-4-16(12-18(20)22)32-10-9-31-2/h3-6,11-12,14H,7-10,13H2,1-2H3/t14-/m1/s1
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| InChIKey |
UYDOMGYRFNETNI-CQSZACIVSA-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