General Information of the Compound
| Compound ID |
CP0450265
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| Compound Name |
(2R)-1,1,1-trifluoro-2-[5-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]propan-2-ol
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| Structure |
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| Formula |
C19H19F7N2O3S2
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| Molecular Weight |
520.492
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(s1)[C@](C)(O)C(F)(F)F)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C19H19F7N2O3S2/c1-11-10-27(14-4-3-12(20)9-13(14)18(21,22)23)7-8-28(11)33(30,31)16-6-5-15(32-16)17(2,29)19(24,25)26/h3-6,9,11,29H,7-8,10H2,1-2H3/t11-,17+/m1/s1
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| InChIKey |
KMOODFIUONBYCX-DIFFPNOSSA-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1