General Information of the Compound
| Compound ID |
CP0483439
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| Compound Name |
1,1,1-trifluoro-2-[5-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonyl-2-methyl-1,2,4-triazol-3-yl]propan-2-ol
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| Structure |
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| Formula |
C18H20F7N5O3S
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| Molecular Weight |
519.443
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1nc(n(C)n1)C(C)(O)C(F)(F)F)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C18H20F7N5O3S/c1-10-9-29(13-5-4-11(19)8-12(13)17(20,21)22)6-7-30(10)34(32,33)15-26-14(28(3)27-15)16(2,31)18(23,24)25/h4-5,8,10,31H,6-7,9H2,1-3H3/t10-,16?/m1/s1
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| InChIKey |
WCHWVXBWPCIHNH-HQNRFAHOSA-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