General Information of the Compound
| Compound ID |
CP0438228
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| Compound Name |
N-[[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]ethanesulfonamide
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| Structure |
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| Formula |
C21H27F3N4O2S
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| Molecular Weight |
456.534
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| Canonical SMILES |
CCS(=O)(=O)NCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
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| InChI |
InChI=1S/C21H27F3N4O2S/c1-3-31(29,30)25-14-19-8-11-20(12-9-19,13-10-19)18-27-26-17(28(18)2)15-6-4-5-7-16(15)21(22,23)24/h4-7,25H,3,8-14H2,1-2H3
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| InChIKey |
BOZUAKRAAYEOLG-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
Protein ID: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2
Protein ID: PT01111, 11-beta-hydroxysteroid dehydrogenase type 2