General Information of the Compound
| Compound ID |
CP0485610
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| Compound Name |
(1S,5R)-8-(4-tert-butylphenylsulfonyl)-1-methyl-8-azabicyclo[3.2.1]octane-3,3-diol
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| Structure |
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| Formula |
C18H27NO4S
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| Molecular Weight |
353.484
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@@H]2CC[C@@]1(C)CC(O)(O)C2
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| InChI |
InChI=1S/C18H27NO4S/c1-16(2,3)13-5-7-15(8-6-13)24(22,23)19-14-9-10-17(19,4)12-18(20,21)11-14/h5-8,14,20-21H,9-12H2,1-4H3/t14-,17+/m1/s1
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| InChIKey |
NMFVUIZOWMLQAA-PBHICJAKSA-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