General Information of the Compound
| Compound ID |
CP0459201
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| Compound Name |
4-methyl-3-(4-(2-(2,2,2-trifluoroethylsulfonyl)ethyl)bicyclo[2.2.2]octan-1-yl)-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole
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| Structure |
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| Formula |
C22H25F6N3O2S
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| Molecular Weight |
509.516
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| Canonical SMILES |
Cn1c(nnc1C12CCC(CCS(=O)(=O)CC(F)(F)F)(CC1)CC2)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C22H25F6N3O2S/c1-31-17(15-4-2-3-5-16(15)22(26,27)28)29-30-18(31)20-9-6-19(7-10-20,8-11-20)12-13-34(32,33)14-21(23,24)25/h2-5H,6-14H2,1H3
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| InChIKey |
NVNIPOVLJBAUGM-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