General Information of the Compound
| Compound ID |
CP0386206
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| Compound Name |
(2R)-3,3,3-trifluoro-2-[4-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylphenyl]-2-hydroxypropanamide
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| Structure |
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| Formula |
C21H20F7N3O4S
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| Molecular Weight |
543.461
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)[C@@](O)(C(N)=O)C(F)(F)F)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C21H20F7N3O4S/c1-12-11-30(17-7-4-14(22)10-16(17)20(23,24)25)8-9-31(12)36(34,35)15-5-2-13(3-6-15)19(33,18(29)32)21(26,27)28/h2-7,10,12,33H,8-9,11H2,1H3,(H2,29,32)/t12-,19-/m1/s1
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| InChIKey |
XTHPPYUOTCUZNL-CWTRNNRKSA-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