General Information of the Compound
| Compound ID |
CP0474206
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| Compound Name |
3-(4-(2-(tert-butylsulfonyl)ethyl)bicyclo[2.2.2]octan-1-yl)-4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole
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| Structure |
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| Formula |
C24H32F3N3O2S
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| Molecular Weight |
483.6
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| Canonical SMILES |
Cn1c(nnc1C12CCC(CCS(=O)(=O)C(C)(C)C)(CC1)CC2)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C24H32F3N3O2S/c1-21(2,3)33(31,32)16-15-22-9-12-23(13-10-22,14-11-22)20-29-28-19(30(20)4)17-7-5-6-8-18(17)24(25,26)27/h5-8H,9-16H2,1-4H3
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| InChIKey |
GHISAKGSVUVTIE-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2
Protein ID: PT01111, 11-beta-hydroxysteroid dehydrogenase type 2