General Information of the Compound
| Compound ID |
CP0534999
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| Compound Name |
3-[4-(2-ethylsulfonylethyl)-2-methylphenyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
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| Structure |
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| Formula |
C21H22F3N3O2S
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| Molecular Weight |
437.487
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| Canonical SMILES |
CCS(=O)(=O)CCc1ccc(-c2nnc(-c3ccccc3C(F)(F)F)n2C)c(C)c1
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| InChI |
InChI=1S/C21H22F3N3O2S/c1-4-30(28,29)12-11-15-9-10-16(14(2)13-15)19-25-26-20(27(19)3)17-7-5-6-8-18(17)21(22,23)24/h5-10,13H,4,11-12H2,1-3H3
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| InChIKey |
NKJPMEAFQXGLCQ-UHFFFAOYSA-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