General Information of the Compound
| Compound ID |
CP0506354
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| Compound Name |
(2R)-4-(4-(4-Fluoro-2-(trifluoromethyl)phenyl)-2-methylpiperazin-1-ylsulfonyl)benzonitrile
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| Structure |
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| Formula |
C19H17F4N3O2S
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| Molecular Weight |
427.423
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C#N)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C19H17F4N3O2S/c1-13-12-25(18-7-4-15(20)10-17(18)19(21,22)23)8-9-26(13)29(27,28)16-5-2-14(11-24)3-6-16/h2-7,10,13H,8-9,12H2,1H3/t13-/m1/s1
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| InChIKey |
HKSORBYDKKUFBK-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1