General Information of the Compound
| Compound ID |
CP0400296
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| Compound Name |
(1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
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| Structure |
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| Formula |
C18H27NO3S
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| Molecular Weight |
337.485
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(C)(O)C2
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| InChI |
InChI=1S/C18H27NO3S/c1-17(2,3)13-5-9-16(10-6-13)23(21,22)19-14-7-8-15(19)12-18(4,20)11-14/h5-6,9-10,14-15,20H,7-8,11-12H2,1-4H3/t14-,15+,18?
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| InChIKey |
CMHFYZGPGKKQOM-MVVMVCHASA-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