General Information of the Compound
| Compound ID |
CP0386207
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| Compound Name |
(2R)-3,3,3-trifluoro-2-[2-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonyl-1,3-thiazol-5-yl]-2-hydroxypropanamide
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| Structure |
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| Formula |
C18H17F7N4O4S2
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| Molecular Weight |
550.478
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ncc(s1)[C@@](O)(C(N)=O)C(F)(F)F)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C18H17F7N4O4S2/c1-9-8-28(12-3-2-10(19)6-11(12)17(20,21)22)4-5-29(9)35(32,33)15-27-7-13(34-15)16(31,14(26)30)18(23,24)25/h2-3,6-7,9,31H,4-5,8H2,1H3,(H2,26,30)/t9-,16-/m1/s1
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| InChIKey |
AAAMYWMNTPTTKE-JDNHERCYSA-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