General Information of the Compound
| Compound ID |
CP0494395
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| Compound Name |
3-(4-(4-methoxybutyl)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 |
C23H30F3N3O
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| Molecular Weight |
421.507
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| Canonical SMILES |
COCCCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
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| InChI |
InChI=1S/C23H30F3N3O/c1-29-19(17-7-3-4-8-18(17)23(24,25)26)27-28-20(29)22-13-10-21(11-14-22,12-15-22)9-5-6-16-30-2/h3-4,7-8H,5-6,9-16H2,1-2H3
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| InChIKey |
BQIIPZMTXFQIQG-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