General Information of the Compound
| Compound ID |
CP0386208
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| Compound Name |
1,1,1-trifluoro-2-[4-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonyl-1-methylimidazol-2-yl]propan-2-ol
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| Structure |
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| Formula |
C19H21F7N4O3S
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| Molecular Weight |
518.455
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1cn(C)c(n1)C(C)(O)C(F)(F)F)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C19H21F7N4O3S/c1-11-9-29(14-5-4-12(20)8-13(14)18(21,22)23)6-7-30(11)34(32,33)15-10-28(3)16(27-15)17(2,31)19(24,25)26/h4-5,8,10-11,31H,6-7,9H2,1-3H3/t11-,17?/m1/s1
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| InChIKey |
KEQKJYAUPNCMBM-VCQTYVLVSA-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