General Information of the Compound
| Compound ID |
CP0471998
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| Compound Name |
(2R)-4-[4-Fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-[(4-piperidin-1-ylphenyl)sulfonyl]piperazine
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| Structure |
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| Formula |
C23H27F4N3O2S
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| Molecular Weight |
485.547
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)N1CCCCC1)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C23H27F4N3O2S/c1-17-16-29(22-10-5-18(24)15-21(22)23(25,26)27)13-14-30(17)33(31,32)20-8-6-19(7-9-20)28-11-3-2-4-12-28/h5-10,15,17H,2-4,11-14,16H2,1H3/t17-/m1/s1
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| InChIKey |
TUIWXAYTUYFXHZ-QGZVFWFLSA-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